[1-[[2-(1-methylpiperidin-2-yl)ethylamino]methyl]cyclohexyl]methanol

C16H32N2O — CID 103966435

IUPAC[1-[[2-(1-methylpiperidin-2-yl)ethylamino]methyl]cyclohexyl]methanol
SMILESCN1CCCCC1CCNCC1(CO)CCCCC1
InChIInChI=1S/C16H32N2O/c1-18-12-6-3-7-15(18)8-11-17-13-16(14-19)9-4-2-5-10-16/h15,17,19H,2-14H2,1H3
InChIKeyQYPBACHSZKZZBA-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.39
Rot. Bonds6

About [1-[[2-(1-methylpiperidin-2-yl)ethylamino]methyl]cyclohexyl]methanol

[1-[[2-(1-methylpiperidin-2-yl)ethylamino]methyl]cyclohexyl]methanol (PubChem CID 103966435) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is [1-[[2-(1-methylpiperidin-2-yl)ethylamino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[2-(1-methylpiperidin-2-yl)ethylamino]methyl]cyclohexyl]methanol
PubChem CID103966435
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name[1-[[2-(1-methylpiperidin-2-yl)ethylamino]methyl]cyclohexyl]methanol
SMILESCN1CCCCC1CCNCC1(CO)CCCCC1
InChIInChI=1S/C16H32N2O/c1-18-12-6-3-7-15(18)8-11-17-13-16(14-19)9-4-2-5-10-16/h15,17,19H,2-14H2,1H3
InChIKeyQYPBACHSZKZZBA-UHFFFAOYSA-N
XLogP2.39
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[1-[[(1-methylpiperidin-2-yl)methylamino]methyl]cyclohexyl]methanol
CID 81419235
[1-[(2-cyclopropylethylamino)methyl]cyclohexyl]methanol
CID 81419373
[1-[[2-(azepan-1-yl)ethylamino]methyl]cyclohexyl]methanol
CID 81419818
N-ethyl-2-(1-methylpiperidin-2-yl)ethanamine
CID 60685781
N-[2-(1-methylpiperidin-2-yl)ethyl]-2-piperidin-1-ylpropan-1-amine
CID 55067071
2-(1-methylpiperidin-2-yl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 55067022
methyl 3-[2-(1-methylpiperidin-2-yl)ethylamino]propanoate
CID 60692147
[1-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]cyclohexyl]methanol
CID 81411194
2-[1-[[1-(propylaminomethyl)cyclopentyl]methyl]piperidin-2-yl]ethanol
CID 62261936
3-bromo-N-[2-(1-methylpiperidin-2-yl)ethyl]propan-1-amine
CID 107913859
2-(1-methylpiperidin-2-yl)-N-(oxan-4-ylmethyl)ethanamine
CID 63712568
2-[[2-(1-methylpiperidin-2-yl)ethylamino]methyl]cyclohexan-1-ol
CID 64912841

Frequently Asked Questions

What is the IUPAC name of [1-[[2-(1-methylpiperidin-2-yl)ethylamino]methyl]cyclohexyl]methanol?
The IUPAC name of [1-[[2-(1-methylpiperidin-2-yl)ethylamino]methyl]cyclohexyl]methanol (CID 103966435) is [1-[[2-(1-methylpiperidin-2-yl)ethylamino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[[2-(1-methylpiperidin-2-yl)ethylamino]methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[[2-(1-methylpiperidin-2-yl)ethylamino]methyl]cyclohexyl]methanol is CN1CCCCC1CCNCC1(CO)CCCCC1.
What is the InChIKey of [1-[[2-(1-methylpiperidin-2-yl)ethylamino]methyl]cyclohexyl]methanol?
The InChIKey is QYPBACHSZKZZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-18-12-6-3-7-15(18)8-11-17-13-16(14-19)9-4-2-5-10-16/h15,17,19H,2-14H2,1H3.
What are the key properties of [1-[[2-(1-methylpiperidin-2-yl)ethylamino]methyl]cyclohexyl]methanol?
[1-[[2-(1-methylpiperidin-2-yl)ethylamino]methyl]cyclohexyl]methanol has a molecular weight of 268.44 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-(1-methylpiperidin-2-yl)ethylamino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 103966435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).