1,2-dimethylpiperidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;methane

C37H87N5 — CID 158973700

IUPAC1,2-dimethylpiperidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;methane
SMILESC.C.C.C.CC1CCCCN1C.CC1CCCN(C)C1.CC1CCCN1C.CC1CCN(C)C1.CC1CCN(C)CC1
InChIInChI=1S/3C7H15N.2C6H13N.4CH4/c1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-7-5-3-4-6-8(7)2;1-6-3-4-7(2)5-6;1-6-4-3-5-7(6)2;;;;/h3*7H,3-6H2,1-2H3;2*6H,3-5H2,1-2H3;4*1H4
InChIKeyJOCWJOKORZRHKC-UHFFFAOYSA-N
MW602.14 g/mol
LogP8.79
Rot. Bonds

About 1,2-dimethylpiperidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;methane

1,2-dimethylpiperidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;methane (PubChem CID 158973700) has the molecular formula C37H87N5 and a molecular weight of 602.14 g/mol. Its IUPAC name is 1,2-dimethylpiperidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;methane.

Molecular Properties

Compound Name1,2-dimethylpiperidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;methane
PubChem CID158973700
Molecular FormulaC37H87N5
Molecular Weight602.14 g/mol
Exact Mass601.70
IUPAC Name1,2-dimethylpiperidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;methane
SMILESC.C.C.C.CC1CCCCN1C.CC1CCCN(C)C1.CC1CCCN1C.CC1CCN(C)C1.CC1CCN(C)CC1
InChIInChI=1S/3C7H15N.2C6H13N.4CH4/c1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-7-5-3-4-6-8(7)2;1-6-3-4-7(2)5-6;1-6-4-3-5-7(6)2;;;;/h3*7H,3-6H2,1-2H3;2*6H,3-5H2,1-2H3;4*1H4
InChIKeyJOCWJOKORZRHKC-UHFFFAOYSA-N
XLogP8.79
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.14
LogP ≤ 58.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1,2-dimethylpiperidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;methane with MolForge

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Related Compounds

3,3-Difluoro-1-methyl-4-[3-(2-methylpropyl)pyrrolidin-1-yl]piperidine;3,3-difluoro-4-[3-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine;ethane;2-methylpropane;4-(2-methylpropyl)-1-pentan-3-ylpiperidine
CID 155599359
4-Piperidin-1-yl-1-[2-[1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]propan-2-yl]piperidine
CID 138517361
1-Tert-butyl-4-[[1-[5-[4-[2-(1-tert-butylpyrrolidin-3-yl)ethyl]piperazin-1-yl]-2,5-dimethylhexan-2-yl]piperidin-4-yl]methyl]piperazine
CID 138656878
1-Methyl-3-(1-methyl-4-piperidin-1-ylpiperidin-3-yl)-4-pyrrolidin-1-ylpiperidine
CID 142123454
6-(4-Methylpiperidin-1-yl)-3-[2-[1-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidin-3-yl]ethyl]-3-azabicyclo[3.1.0]hexane
CID 144962420
(1R,4R)-2-propan-2-yl-5-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-2,5-diazabicyclo[2.2.1]heptane
CID 155184387
2-Propan-2-yl-5-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-2,5-diazabicyclo[2.2.1]heptane
CID 155184442
8-Propan-2-yl-2-[5-(8-propan-2-yl-2,8-diazaspiro[4.5]decan-2-yl)hexan-2-yl]-2,8-diazaspiro[4.5]decane
CID 155277857
propane;(1S,4R)-2-propan-2-yl-5-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-2,5-diazabicyclo[2.2.1]heptane
CID 155702569
Propane;2-propan-2-yl-5-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-2,5-diazabicyclo[2.2.1]heptane
CID 155702617
(3R)-2-ethyl-8-[5-[(3S)-8-ethyl-3-methyl-2,8-diazaspiro[4.5]decan-2-yl]pentan-2-yl]-3-methyl-2,8-diazaspiro[4.5]decane
CID 156191330
2,8-Di(propan-2-yl)-2,8-diazaspiro[4.5]decane;3-methyl-2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane
CID 156709747

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylpiperidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;methane?
The IUPAC name of 1,2-dimethylpiperidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;methane (CID 158973700) is 1,2-dimethylpiperidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;methane.
What is the SMILES notation for 1,2-dimethylpiperidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;methane?
The canonical SMILES for 1,2-dimethylpiperidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;methane is C.C.C.C.CC1CCCCN1C.CC1CCCN(C)C1.CC1CCCN1C.CC1CCN(C)C1.CC1CCN(C)CC1.
What is the InChIKey of 1,2-dimethylpiperidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;methane?
The InChIKey is JOCWJOKORZRHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/3C7H15N.2C6H13N.4CH4/c1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-7-5-3-4-6-8(7)2;1-6-3-4-7(2)5-6;1-6-4-3-5-7(6)2;;;;/h3*7H,3-6H2,1-2H3;2*6H,3-5H2,1-2H3;4*1H4.
What are the key properties of 1,2-dimethylpiperidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;methane?
1,2-dimethylpiperidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;methane has a molecular weight of 602.14 g/mol, XLogP of 8.79, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylpiperidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;methane is sourced from PubChem (CID 158973700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).