[4-methyl-1-(pyridin-4-ylmethylamino)cyclohexyl]methanol

C14H22N2O — CID 62526385

IUPAC[4-methyl-1-(pyridin-4-ylmethylamino)cyclohexyl]methanol
SMILESCC1CCC(CO)(NCc2ccncc2)CC1
InChIInChI=1S/C14H22N2O/c1-12-2-6-14(11-17,7-3-12)16-10-13-4-8-15-9-5-13/h4-5,8-9,12,16-17H,2-3,6-7,10-11H2,1H3
InChIKeyBSSUMXQNXJSFMX-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.11
Rot. Bonds4

About [4-methyl-1-(pyridin-4-ylmethylamino)cyclohexyl]methanol

[4-methyl-1-(pyridin-4-ylmethylamino)cyclohexyl]methanol (PubChem CID 62526385) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is [4-methyl-1-(pyridin-4-ylmethylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[4-methyl-1-(pyridin-4-ylmethylamino)cyclohexyl]methanol
PubChem CID62526385
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name[4-methyl-1-(pyridin-4-ylmethylamino)cyclohexyl]methanol
SMILESCC1CCC(CO)(NCc2ccncc2)CC1
InChIInChI=1S/C14H22N2O/c1-12-2-6-14(11-17,7-3-12)16-10-13-4-8-15-9-5-13/h4-5,8-9,12,16-17H,2-3,6-7,10-11H2,1H3
InChIKeyBSSUMXQNXJSFMX-UHFFFAOYSA-N
XLogP2.11
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(4-cyclopropylphenyl)methylamino]-4-methylcyclohexyl]methanol
CID 79984227
[1-(benzylamino)-4-methylcycloheptyl]methanol
CID 65085339
[1-(benzylamino)-3-methylcyclopentyl]methanol
CID 64515748
[4-methyl-1-(pyrimidin-2-ylmethylamino)cyclohexyl]methanol
CID 62699370
[1-[(3,5-dimethylphenyl)methylamino]-4-methylcyclohexyl]methanol
CID 62553320
[4-methyl-1-[(4-propoxyphenyl)methylamino]cyclohexyl]methanol
CID 62526048
2,6-dibromo-4-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]phenol
CID 107740759
[4-methyl-1-(1,3-thiazol-5-ylmethylamino)cyclohexyl]methanol
CID 62759472
[1-[(4-fluoro-3-methylphenyl)methylamino]-4-methylcyclohexyl]methanol
CID 62553502
2-[1-(benzylamino)-4-methylcyclohexyl]acetic acid
CID 83693626
3-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]benzonitrile
CID 62526546
[1-[(3-bromo-5-fluorophenyl)methylamino]-4-methylcyclohexyl]methanol
CID 79710411

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-(pyridin-4-ylmethylamino)cyclohexyl]methanol?
The IUPAC name of [4-methyl-1-(pyridin-4-ylmethylamino)cyclohexyl]methanol (CID 62526385) is [4-methyl-1-(pyridin-4-ylmethylamino)cyclohexyl]methanol.
What is the SMILES notation for [4-methyl-1-(pyridin-4-ylmethylamino)cyclohexyl]methanol?
The canonical SMILES for [4-methyl-1-(pyridin-4-ylmethylamino)cyclohexyl]methanol is CC1CCC(CO)(NCc2ccncc2)CC1.
What is the InChIKey of [4-methyl-1-(pyridin-4-ylmethylamino)cyclohexyl]methanol?
The InChIKey is BSSUMXQNXJSFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-12-2-6-14(11-17,7-3-12)16-10-13-4-8-15-9-5-13/h4-5,8-9,12,16-17H,2-3,6-7,10-11H2,1H3.
What are the key properties of [4-methyl-1-(pyridin-4-ylmethylamino)cyclohexyl]methanol?
[4-methyl-1-(pyridin-4-ylmethylamino)cyclohexyl]methanol has a molecular weight of 234.34 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-(pyridin-4-ylmethylamino)cyclohexyl]methanol is sourced from PubChem (CID 62526385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).