[2-[[4-(aminomethyl)-1-(2-methylpropyl)piperidin-4-yl]amino]cyclohexyl]methanol

C17H35N3O — CID 106360413

IUPAC[2-[[4-(aminomethyl)-1-(2-methylpropyl)piperidin-4-yl]amino]cyclohexyl]methanol
SMILESCC(C)CN1CCC(CN)(NC2CCCCC2CO)CC1
InChIInChI=1S/C17H35N3O/c1-14(2)11-20-9-7-17(13-18,8-10-20)19-16-6-4-3-5-15(16)12-21/h14-16,19,21H,3-13,18H2,1-2H3
InChIKeyNMQSFSWNVAKFSF-UHFFFAOYSA-N
MW297.49 g/mol
LogP1.58
Rot. Bonds6

About [2-[[4-(aminomethyl)-1-(2-methylpropyl)piperidin-4-yl]amino]cyclohexyl]methanol

[2-[[4-(aminomethyl)-1-(2-methylpropyl)piperidin-4-yl]amino]cyclohexyl]methanol (PubChem CID 106360413) has the molecular formula C17H35N3O and a molecular weight of 297.49 g/mol. Its IUPAC name is [2-[[4-(aminomethyl)-1-(2-methylpropyl)piperidin-4-yl]amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[[4-(aminomethyl)-1-(2-methylpropyl)piperidin-4-yl]amino]cyclohexyl]methanol
PubChem CID106360413
Molecular FormulaC17H35N3O
Molecular Weight297.49 g/mol
Exact Mass297.28
IUPAC Name[2-[[4-(aminomethyl)-1-(2-methylpropyl)piperidin-4-yl]amino]cyclohexyl]methanol
SMILESCC(C)CN1CCC(CN)(NC2CCCCC2CO)CC1
InChIInChI=1S/C17H35N3O/c1-14(2)11-20-9-7-17(13-18,8-10-20)19-16-6-4-3-5-15(16)12-21/h14-16,19,21H,3-13,18H2,1-2H3
InChIKeyNMQSFSWNVAKFSF-UHFFFAOYSA-N
XLogP1.58
TPSA61.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [2-[[4-(aminomethyl)-1-(2-methylpropyl)piperidin-4-yl]amino]cyclohexyl]methanol with MolForge

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Related Compounds

[2-[[4-(aminomethyl)-1-propan-2-ylpiperidin-4-yl]amino]cyclopentyl]methanol
CID 106359944
[2-[[1-(aminomethyl)-4,4-dimethylcyclohexyl]amino]cyclohexyl]methanol
CID 106360313
[2-[[7-(aminomethyl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-yl]amino]cyclopentyl]methanol
CID 106360020
[2-[[3-(aminomethyl)oxolan-3-yl]amino]cyclohexyl]methanol
CID 106360446
[2-[[1-(aminomethyl)-3,5-dimethylcyclohexyl]amino]cyclopentyl]methanol
CID 106359954
[2-[[1-(aminomethyl)-3-cyclopropylcyclohexyl]amino]cyclohexyl]methanol
CID 106360376
[2-[[1-(aminomethyl)-2-ethylcyclopentyl]amino]cyclohexyl]methanol
CID 114178587
[2-[[3-(aminomethyl)-2-methylthiolan-3-yl]amino]cyclohexyl]methanol
CID 114178599
[2-[[1-(aminomethyl)-2,5-dimethylcyclohexyl]amino]cyclohexyl]methanol
CID 106360359
3-[[2-(hydroxymethyl)cyclohexyl]amino]-2-methylpropan-1-ol
CID 104934327
4-(hydroxymethyl)-1-(2-methylpropyl)piperidin-3-ol
CID 130703735
[2-(ethoxyamino)cyclohexyl]methanol
CID 175246547

Frequently Asked Questions

What is the IUPAC name of [2-[[4-(aminomethyl)-1-(2-methylpropyl)piperidin-4-yl]amino]cyclohexyl]methanol?
The IUPAC name of [2-[[4-(aminomethyl)-1-(2-methylpropyl)piperidin-4-yl]amino]cyclohexyl]methanol (CID 106360413) is [2-[[4-(aminomethyl)-1-(2-methylpropyl)piperidin-4-yl]amino]cyclohexyl]methanol.
What is the SMILES notation for [2-[[4-(aminomethyl)-1-(2-methylpropyl)piperidin-4-yl]amino]cyclohexyl]methanol?
The canonical SMILES for [2-[[4-(aminomethyl)-1-(2-methylpropyl)piperidin-4-yl]amino]cyclohexyl]methanol is CC(C)CN1CCC(CN)(NC2CCCCC2CO)CC1.
What is the InChIKey of [2-[[4-(aminomethyl)-1-(2-methylpropyl)piperidin-4-yl]amino]cyclohexyl]methanol?
The InChIKey is NMQSFSWNVAKFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O/c1-14(2)11-20-9-7-17(13-18,8-10-20)19-16-6-4-3-5-15(16)12-21/h14-16,19,21H,3-13,18H2,1-2H3.
What are the key properties of [2-[[4-(aminomethyl)-1-(2-methylpropyl)piperidin-4-yl]amino]cyclohexyl]methanol?
[2-[[4-(aminomethyl)-1-(2-methylpropyl)piperidin-4-yl]amino]cyclohexyl]methanol has a molecular weight of 297.49 g/mol, XLogP of 1.58, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-(aminomethyl)-1-(2-methylpropyl)piperidin-4-yl]amino]cyclohexyl]methanol is sourced from PubChem (CID 106360413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).