[3-methyl-1-(4-piperidin-1-ylpiperidin-1-yl)cyclopentyl]methanamine

C17H33N3 — CID 64501577

IUPAC[3-methyl-1-(4-piperidin-1-ylpiperidin-1-yl)cyclopentyl]methanamine
SMILESCC1CCC(CN)(N2CCC(N3CCCCC3)CC2)C1
InChIInChI=1S/C17H33N3/c1-15-5-8-17(13-15,14-18)20-11-6-16(7-12-20)19-9-3-2-4-10-19/h15-16H,2-14,18H2,1H3
InChIKeyANUJWMGICOWAKU-UHFFFAOYSA-N
MW279.47 g/mol
LogP2.45
Rot. Bonds3

About [3-methyl-1-(4-piperidin-1-ylpiperidin-1-yl)cyclopentyl]methanamine

[3-methyl-1-(4-piperidin-1-ylpiperidin-1-yl)cyclopentyl]methanamine (PubChem CID 64501577) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is [3-methyl-1-(4-piperidin-1-ylpiperidin-1-yl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[3-methyl-1-(4-piperidin-1-ylpiperidin-1-yl)cyclopentyl]methanamine
PubChem CID64501577
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name[3-methyl-1-(4-piperidin-1-ylpiperidin-1-yl)cyclopentyl]methanamine
SMILESCC1CCC(CN)(N2CCC(N3CCCCC3)CC2)C1
InChIInChI=1S/C17H33N3/c1-15-5-8-17(13-15,14-18)20-11-6-16(7-12-20)19-9-3-2-4-10-19/h15-16H,2-14,18H2,1H3
InChIKeyANUJWMGICOWAKU-UHFFFAOYSA-N
XLogP2.45
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(azocan-1-yl)-3-methylcyclopentyl]methanamine
CID 64501768
(3-methyl-1-pyrrolidin-1-ylcyclohexyl)methanamine
CID 24695310
[1-(4,4-dimethylpiperidin-1-yl)-3-methylcyclopentyl]methanamine
CID 64500940
[1,5-dimethyl-3-(4-piperidin-1-ylpiperidin-1-yl)pyrrolidin-3-yl]methanamine
CID 81469831
[2,5-dimethyl-1-(3-piperidin-1-ylpyrrolidin-1-yl)cyclohexyl]methanamine
CID 64763152
[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-methylcyclohexyl]methanamine
CID 79941371
[1-(3-piperidin-1-ylpyrrolidin-1-yl)cyclopropyl]methanamine
CID 106661223
[3-(4-piperidin-1-ylpiperidin-1-yl)thian-3-yl]methanamine
CID 62871130
[1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-methylcyclohexyl]methanamine
CID 79932333
[4-methyl-1-(4-methylazepan-1-yl)cyclohexyl]methanamine
CID 63623138
[1-(4-butan-2-ylpiperazin-1-yl)-3-methylcyclopentyl]methanamine
CID 64500744
[1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-methylcycloheptyl]methanamine
CID 79932335

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-(4-piperidin-1-ylpiperidin-1-yl)cyclopentyl]methanamine?
The IUPAC name of [3-methyl-1-(4-piperidin-1-ylpiperidin-1-yl)cyclopentyl]methanamine (CID 64501577) is [3-methyl-1-(4-piperidin-1-ylpiperidin-1-yl)cyclopentyl]methanamine.
What is the SMILES notation for [3-methyl-1-(4-piperidin-1-ylpiperidin-1-yl)cyclopentyl]methanamine?
The canonical SMILES for [3-methyl-1-(4-piperidin-1-ylpiperidin-1-yl)cyclopentyl]methanamine is CC1CCC(CN)(N2CCC(N3CCCCC3)CC2)C1.
What is the InChIKey of [3-methyl-1-(4-piperidin-1-ylpiperidin-1-yl)cyclopentyl]methanamine?
The InChIKey is ANUJWMGICOWAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-15-5-8-17(13-15,14-18)20-11-6-16(7-12-20)19-9-3-2-4-10-19/h15-16H,2-14,18H2,1H3.
What are the key properties of [3-methyl-1-(4-piperidin-1-ylpiperidin-1-yl)cyclopentyl]methanamine?
[3-methyl-1-(4-piperidin-1-ylpiperidin-1-yl)cyclopentyl]methanamine has a molecular weight of 279.47 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-(4-piperidin-1-ylpiperidin-1-yl)cyclopentyl]methanamine is sourced from PubChem (CID 64501577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).