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

C18H35N3 — CID 79519722

IUPAC[4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]cyclohexyl]methanamine
SMILESNCC1CCC(CN2CCC(N3CCCCC3)CC2)CC1
InChIInChI=1S/C18H35N3/c19-14-16-4-6-17(7-5-16)15-20-12-8-18(9-13-20)21-10-2-1-3-11-21/h16-18H,1-15,19H2
InChIKeyVAAPFSTWFXTVEK-UHFFFAOYSA-N
MW293.50 g/mol
LogP2.70
Rot. Bonds4

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

[4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]cyclohexyl]methanamine (PubChem CID 79519722) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is [4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]cyclohexyl]methanamine
PubChem CID79519722
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC Name[4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]cyclohexyl]methanamine
SMILESNCC1CCC(CN2CCC(N3CCCCC3)CC2)CC1
InChIInChI=1S/C18H35N3/c19-14-16-4-6-17(7-5-16)15-20-12-8-18(9-13-20)21-10-2-1-3-11-21/h16-18H,1-15,19H2
InChIKeyVAAPFSTWFXTVEK-UHFFFAOYSA-N
XLogP2.70
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]cyclohexyl]methanamine with MolForge

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Related Compounds

4-piperidin-1-yl-1-(piperidin-4-ylmethyl)piperidine
CID 61244264
[1-(cyclopropylmethyl)piperidin-4-yl]methanamine;hydrochloride
CID 163375972
[4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylmethyl)cyclohexyl]methanamine
CID 79532956
1-[1-(cyclopropylmethyl)piperidin-4-yl]piperidin-4-amine
CID 59410340
3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]cyclohexan-1-amine
CID 63046291
3-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]cyclopentan-1-amine
CID 66008849
4-[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]cyclohexan-1-amine
CID 58153963
4-(4-piperidin-1-ylpiperidin-1-yl)butan-1-amine
CID 61216652
4-(piperidin-1-ylmethyl)cyclohexan-1-amine;hydrochloride
CID 175029660
1-(cyclopropylmethyl)-4-(oxan-4-yl)piperazine
CID 126851078
(3-piperidin-1-ylcycloheptyl)methanamine
CID 83863354
2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanamine
CID 45157083

Frequently Asked Questions

What is the IUPAC name of [4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]cyclohexyl]methanamine?
The IUPAC name of [4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]cyclohexyl]methanamine (CID 79519722) is [4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]cyclohexyl]methanamine.
What is the SMILES notation for [4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]cyclohexyl]methanamine?
The canonical SMILES for [4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]cyclohexyl]methanamine is NCC1CCC(CN2CCC(N3CCCCC3)CC2)CC1.
What is the InChIKey of [4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]cyclohexyl]methanamine?
The InChIKey is VAAPFSTWFXTVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3/c19-14-16-4-6-17(7-5-16)15-20-12-8-18(9-13-20)21-10-2-1-3-11-21/h16-18H,1-15,19H2.
What are the key properties of [4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]cyclohexyl]methanamine?
[4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]cyclohexyl]methanamine has a molecular weight of 293.50 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]cyclohexyl]methanamine is sourced from PubChem (CID 79519722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).