tert-butyl 4-[(1-methylpiperidin-4-yl)amino]piperidine-1-carboxylate

C16H31N3O2 — CID 43652189

IUPACtert-butyl 4-[(1-methylpiperidin-4-yl)amino]piperidine-1-carboxylate
SMILESCN1CCC(NC2CCN(C(=O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C16H31N3O2/c1-16(2,3)21-15(20)19-11-7-14(8-12-19)17-13-5-9-18(4)10-6-13/h13-14,17H,5-12H2,1-4H3
InChIKeyDJXKHOADYQLOHC-UHFFFAOYSA-N
MW297.44 g/mol
LogP2.07
Rot. Bonds2

About tert-butyl 4-[(1-methylpiperidin-4-yl)amino]piperidine-1-carboxylate

tert-butyl 4-[(1-methylpiperidin-4-yl)amino]piperidine-1-carboxylate (PubChem CID 43652189) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is tert-butyl 4-[(1-methylpiperidin-4-yl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(1-methylpiperidin-4-yl)amino]piperidine-1-carboxylate
PubChem CID43652189
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Nametert-butyl 4-[(1-methylpiperidin-4-yl)amino]piperidine-1-carboxylate
SMILESCN1CCC(NC2CCN(C(=O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C16H31N3O2/c1-16(2,3)21-15(20)19-11-7-14(8-12-19)17-13-5-9-18(4)10-6-13/h13-14,17H,5-12H2,1-4H3
InChIKeyDJXKHOADYQLOHC-UHFFFAOYSA-N
XLogP2.07
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[(3-methylcyclopentyl)amino]piperidine-1-carboxylate
CID 115653281
tert-butyl 4-(1-methylpiperidin-4-yl)oxypiperidine-1-carboxylate
CID 59506078
tert-butyl 4-[(4-hydroxycyclohexyl)amino]azepane-1-carboxylate
CID 103980484
tert-butyl 4-[(4-aminocyclohexyl)amino]azepane-1-carboxylate
CID 103982002
tert-butyl (4S)-4-(cyclopent-3-en-1-ylamino)azepane-1-carboxylate
CID 99718887
tert-butyl 4-(piperidin-3-ylamino)piperidine-1-carboxylate
CID 107241648
tert-butyl 4-[(3,5-dimethylcyclohexyl)amino]azepane-1-carboxylate
CID 103982271
tert-butyl 4-[(1-ethylpiperidin-4-yl)amino]azepane-1-carboxylate
CID 103981745
tert-butyl (3S)-3-(thian-4-ylamino)pyrrolidine-1-carboxylate
CID 86609366
tert-butyl 4-[(3-hydroxycyclohexyl)amino]azepane-1-carboxylate
CID 103981515
tert-butyl 4-[[2-methyl-2-(4-methylpiperazin-1-yl)propyl]amino]piperidine-1-carboxylate
CID 113223766
tert-butyl (3R,4S)-3-cyano-4-[(1-methylpiperidin-4-yl)amino]pyrrolidine-1-carboxylate
CID 97342026

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(1-methylpiperidin-4-yl)amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(1-methylpiperidin-4-yl)amino]piperidine-1-carboxylate (CID 43652189) is tert-butyl 4-[(1-methylpiperidin-4-yl)amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(1-methylpiperidin-4-yl)amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(1-methylpiperidin-4-yl)amino]piperidine-1-carboxylate is CN1CCC(NC2CCN(C(=O)OC(C)(C)C)CC2)CC1.
What is the InChIKey of tert-butyl 4-[(1-methylpiperidin-4-yl)amino]piperidine-1-carboxylate?
The InChIKey is DJXKHOADYQLOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-16(2,3)21-15(20)19-11-7-14(8-12-19)17-13-5-9-18(4)10-6-13/h13-14,17H,5-12H2,1-4H3.
What are the key properties of tert-butyl 4-[(1-methylpiperidin-4-yl)amino]piperidine-1-carboxylate?
tert-butyl 4-[(1-methylpiperidin-4-yl)amino]piperidine-1-carboxylate has a molecular weight of 297.44 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(1-methylpiperidin-4-yl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 43652189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).