tert-butyl 2-methylpiperidine-1-carboxylate;tert-butyl 3-methylpiperidine-1-carboxylate;tert-butyl 4-methylpiperidine-1-carboxylate;1,2-dimethylpiperidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;methane;2-methylpiperidine;4-methylpiperidine

C67H138N8O6 — CID 158214541

IUPACtert-butyl 2-methylpiperidine-1-carboxylate;tert-butyl 3-methylpiperidine-1-carboxylate;tert-butyl 4-methylpiperidine-1-carboxylate;1,2-dimethylpiperidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;methane;2-methylpiperidine;4-methylpiperidine
SMILESC.CC1CCCCN1.CC1CCCCN1C.CC1CCCCN1C(=O)OC(C)(C)C.CC1CCCN(C(=O)OC(C)(C)C)C1.CC1CCCN(C)C1.CC1CCN(C(=O)OC(C)(C)C)CC1.CC1CCN(C)CC1.CC1CCNCC1
InChIInChI=1S/3C11H21NO2.3C7H15N.2C6H13N.CH4/c1-9-5-7-12(8-6-9)10(13)14-11(2,3)4;1-9-6-5-7-12(8-9)10(13)14-11(2,3)4;1-9-7-5-6-8-12(9)10(13)14-11(2,3)4;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-7-5-3-4-6-8(7)2;1-6-2-4-7-5-3-6;1-6-4-2-3-5-7-6;/h3*9H,5-8H2,1-4H3;3*7H,3-6H2,1-2H3;2*6-7H,2-5H2,1H3;1H4
InChIKeyGCMHELLAHPCZDO-UHFFFAOYSA-N
MW1151.89 g/mol
LogP15.08
Rot. Bonds

About tert-butyl 2-methylpiperidine-1-carboxylate;tert-butyl 3-methylpiperidine-1-carboxylate;tert-butyl 4-methylpiperidine-1-carboxylate;1,2-dimethylpiperidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;methane;2-methylpiperidine;4-methylpiperidine

tert-butyl 2-methylpiperidine-1-carboxylate;tert-butyl 3-methylpiperidine-1-carboxylate;tert-butyl 4-methylpiperidine-1-carboxylate;1,2-dimethylpiperidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;methane;2-methylpiperidine;4-methylpiperidine (PubChem CID 158214541) has the molecular formula C67H138N8O6 and a molecular weight of 1151.89 g/mol. Its IUPAC name is tert-butyl 2-methylpiperidine-1-carboxylate;tert-butyl 3-methylpiperidine-1-carboxylate;tert-butyl 4-methylpiperidine-1-carboxylate;1,2-dimethylpiperidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;methane;2-methylpiperidine;4-methylpiperidine.

Molecular Properties

Compound Nametert-butyl 2-methylpiperidine-1-carboxylate;tert-butyl 3-methylpiperidine-1-carboxylate;tert-butyl 4-methylpiperidine-1-carboxylate;1,2-dimethylpiperidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;methane;2-methylpiperidine;4-methylpiperidine
PubChem CID158214541
Molecular FormulaC67H138N8O6
Molecular Weight1151.89 g/mol
Exact Mass1151.07
IUPAC Nametert-butyl 2-methylpiperidine-1-carboxylate;tert-butyl 3-methylpiperidine-1-carboxylate;tert-butyl 4-methylpiperidine-1-carboxylate;1,2-dimethylpiperidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;methane;2-methylpiperidine;4-methylpiperidine
SMILESC.CC1CCCCN1.CC1CCCCN1C.CC1CCCCN1C(=O)OC(C)(C)C.CC1CCCN(C(=O)OC(C)(C)C)C1.CC1CCCN(C)C1.CC1CCN(C(=O)OC(C)(C)C)CC1.CC1CCN(C)CC1.CC1CCNCC1
InChIInChI=1S/3C11H21NO2.3C7H15N.2C6H13N.CH4/c1-9-5-7-12(8-6-9)10(13)14-11(2,3)4;1-9-6-5-7-12(8-9)10(13)14-11(2,3)4;1-9-7-5-6-8-12(9)10(13)14-11(2,3)4;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-7-5-3-4-6-8(7)2;1-6-2-4-7-5-3-6;1-6-4-2-3-5-7-6;/h3*9H,5-8H2,1-4H3;3*7H,3-6H2,1-2H3;2*6-7H,2-5H2,1H3;1H4
InChIKeyGCMHELLAHPCZDO-UHFFFAOYSA-N
XLogP15.08
TPSA122.40 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001151.89
LogP ≤ 515.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze tert-butyl 2-methylpiperidine-1-carboxylate;tert-butyl 3-methylpiperidine-1-carboxylate;tert-butyl 4-methylpiperidine-1-carboxylate;1,2-dimethylpiperidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;methane;2-methylpiperidine;4-methylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;4-piperidin-4-ylpiperidine;dihydrochloride
CID 18468695
Tert-butyl 4-(1-methylpiperidin-4-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;1-methylpiperidin-4-one;1-(1-methylpiperidin-4-yl)piperazine
CID 157070202
tert-butyl N-(1-propan-2-ylpiperidin-4-yl)carbamate;bis(4-methyl-1-propan-2-ylpiperidine);1-propan-2-ylpiperidin-4-amine
CID 157284720
tert-butyl N-(1-propan-2-ylpiperidin-3-yl)carbamate;tert-butyl N-(1-propan-2-ylpiperidin-4-yl)carbamate;tert-butyl N-[(3S)-1-propan-2-ylpiperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-propan-2-ylpiperidin-3-yl]carbamate;1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperidin-4-amine;(3S)-1-propan-2-ylpiperidin-3-amine;(3R)-1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperidine
CID 157300271
tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 4-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]piperidine-1-carboxylate;(2R,6S)-1,2,6-trimethylpiperazine;(2R,6S)-1,2,6-trimethyl-4-piperidin-4-ylpiperazine
CID 157675088
Tert-butyl 4-ethylpiperidine-1-carboxylate;tert-butyl 4-propan-2-ylpiperidine-1-carboxylate;tert-butyl 4-propylpiperidine-1-carboxylate;4-ethyl-1-methylpiperidine;4-ethylpiperidine;methane;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propylpiperidine;1-methyl-4-propylpiperidine;4-propan-2-ylpiperidine;4-propylpiperidine
CID 157711406
tert-butyl N-(1-propan-2-ylpiperidin-4-yl)carbamate;methane;bis(4-methyl-1-propan-2-ylpiperidine);1-propan-2-ylpiperidin-4-amine
CID 157734607
tert-butyl 4-[4-[[(1S,2R)-2-(aminomethyl)cyclohexyl]amino]piperidin-1-yl]-4-methylpiperidine-1-carboxylate;tert-butyl 4-[4-[[(1S,2R)-2-(azidomethyl)cyclohexyl]amino]piperidin-1-yl]-4-methylpiperidine-1-carboxylate
CID 157758891
bis(tert-butyl (3R,5S)-3,5-dimethylpiperidine-1-carboxylate);tert-butyl (3S,5R)-3,5-dimethyl-4-propan-2-ylpiperazine-1-carboxylate;(3R,5S)-3,5-dimethylpiperidine;(2R,6S)-2,6-dimethyl-1-propan-2-ylpiperazine
CID 158040858
Tert-butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate;tert-butyl 9-methyl-3,9-diazaspiro[5.5]undecane-3-carboxylate;3-methyl-3,9-diazaspiro[5.5]undecane
CID 158113129
Tert-butyl 4-methylpiperidine-1-carboxylate;1,2-dimethylpiperidine;bis(1,3-dimethylpiperidine);1,4-dimethylpiperidine;ethyl 4-methylpiperidine-1-carboxylate;methane;methylcyclohexane;1-(2-methylpiperidin-1-yl)ethanone;1-(3-methylpiperidin-1-yl)ethanone
CID 158453796
Tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 4-piperidin-1-ylpiperidine-1-carboxylate;piperidine;1-piperidin-4-ylpiperidine
CID 158473776

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-methylpiperidine-1-carboxylate;tert-butyl 3-methylpiperidine-1-carboxylate;tert-butyl 4-methylpiperidine-1-carboxylate;1,2-dimethylpiperidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;methane;2-methylpiperidine;4-methylpiperidine?
The IUPAC name of tert-butyl 2-methylpiperidine-1-carboxylate;tert-butyl 3-methylpiperidine-1-carboxylate;tert-butyl 4-methylpiperidine-1-carboxylate;1,2-dimethylpiperidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;methane;2-methylpiperidine;4-methylpiperidine (CID 158214541) is tert-butyl 2-methylpiperidine-1-carboxylate;tert-butyl 3-methylpiperidine-1-carboxylate;tert-butyl 4-methylpiperidine-1-carboxylate;1,2-dimethylpiperidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;methane;2-methylpiperidine;4-methylpiperidine.
What is the SMILES notation for tert-butyl 2-methylpiperidine-1-carboxylate;tert-butyl 3-methylpiperidine-1-carboxylate;tert-butyl 4-methylpiperidine-1-carboxylate;1,2-dimethylpiperidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;methane;2-methylpiperidine;4-methylpiperidine?
The canonical SMILES for tert-butyl 2-methylpiperidine-1-carboxylate;tert-butyl 3-methylpiperidine-1-carboxylate;tert-butyl 4-methylpiperidine-1-carboxylate;1,2-dimethylpiperidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;methane;2-methylpiperidine;4-methylpiperidine is C.CC1CCCCN1.CC1CCCCN1C.CC1CCCCN1C(=O)OC(C)(C)C.CC1CCCN(C(=O)OC(C)(C)C)C1.CC1CCCN(C)C1.CC1CCN(C(=O)OC(C)(C)C)CC1.CC1CCN(C)CC1.CC1CCNCC1.
What is the InChIKey of tert-butyl 2-methylpiperidine-1-carboxylate;tert-butyl 3-methylpiperidine-1-carboxylate;tert-butyl 4-methylpiperidine-1-carboxylate;1,2-dimethylpiperidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;methane;2-methylpiperidine;4-methylpiperidine?
The InChIKey is GCMHELLAHPCZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/3C11H21NO2.3C7H15N.2C6H13N.CH4/c1-9-5-7-12(8-6-9)10(13)14-11(2,3)4;1-9-6-5-7-12(8-9)10(13)14-11(2,3)4;1-9-7-5-6-8-12(9)10(13)14-11(2,3)4;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-7-5-3-4-6-8(7)2;1-6-2-4-7-5-3-6;1-6-4-2-3-5-7-6;/h3*9H,5-8H2,1-4H3;3*7H,3-6H2,1-2H3;2*6-7H,2-5H2,1H3;1H4.
What are the key properties of tert-butyl 2-methylpiperidine-1-carboxylate;tert-butyl 3-methylpiperidine-1-carboxylate;tert-butyl 4-methylpiperidine-1-carboxylate;1,2-dimethylpiperidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;methane;2-methylpiperidine;4-methylpiperidine?
tert-butyl 2-methylpiperidine-1-carboxylate;tert-butyl 3-methylpiperidine-1-carboxylate;tert-butyl 4-methylpiperidine-1-carboxylate;1,2-dimethylpiperidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;methane;2-methylpiperidine;4-methylpiperidine has a molecular weight of 1151.89 g/mol, XLogP of 15.08, 0 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-methylpiperidine-1-carboxylate;tert-butyl 3-methylpiperidine-1-carboxylate;tert-butyl 4-methylpiperidine-1-carboxylate;1,2-dimethylpiperidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;methane;2-methylpiperidine;4-methylpiperidine is sourced from PubChem (CID 158214541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).