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

C13H20N2O — CID 103753143

IUPAC[4-(pyridin-4-ylmethylamino)cyclohexyl]methanol
SMILESOCC1CCC(NCc2ccncc2)CC1
InChIInChI=1S/C13H20N2O/c16-10-12-1-3-13(4-2-12)15-9-11-5-7-14-8-6-11/h5-8,12-13,15-16H,1-4,9-10H2
InChIKeyMLRRBNHKZNONID-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.72
Rot. Bonds4

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

[4-(pyridin-4-ylmethylamino)cyclohexyl]methanol (PubChem CID 103753143) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is [4-(pyridin-4-ylmethylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[4-(pyridin-4-ylmethylamino)cyclohexyl]methanol
PubChem CID103753143
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name[4-(pyridin-4-ylmethylamino)cyclohexyl]methanol
SMILESOCC1CCC(NCc2ccncc2)CC1
InChIInChI=1S/C13H20N2O/c16-10-12-1-3-13(4-2-12)15-9-11-5-7-14-8-6-11/h5-8,12-13,15-16H,1-4,9-10H2
InChIKeyMLRRBNHKZNONID-UHFFFAOYSA-N
XLogP1.72
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[[4-(hydroxymethyl)cyclohexyl]amino]methyl]phenol
CID 112753322
N-(pyridin-4-ylmethyl)cyclooctanamine
CID 4722994
2-(pyridin-4-ylmethylamino)cyclobutan-1-ol
CID 126856533
4-propan-2-yl-N-(pyridin-4-ylmethyl)cycloheptan-1-amine
CID 65087684
1-cyclopropyl-N-(pyridin-4-ylmethyl)methanamine;hydrochloride
CID 167733766
4-(pyridin-4-ylmethylamino)piperidine-1-carboxamide
CID 43769393
N-(pyridin-4-ylmethyl)oxolan-3-amine
CID 63331890
1-tert-butyl-N-(pyridin-4-ylmethyl)piperidin-4-amine
CID 51085983
[4-[[(4-aminocyclohexyl)amino]methyl]phenyl]methanol
CID 107229924
N-(pyridin-4-ylmethyl)-1-pyrimidin-2-ylpiperidin-4-amine
CID 43675588
[4-[(1-methylpyrazol-3-yl)methylamino]cyclohexyl]methanol
CID 103753154
(1R,5R)-8-methyl-N-(pyridin-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 129374539

Frequently Asked Questions

What is the IUPAC name of [4-(pyridin-4-ylmethylamino)cyclohexyl]methanol?
The IUPAC name of [4-(pyridin-4-ylmethylamino)cyclohexyl]methanol (CID 103753143) is [4-(pyridin-4-ylmethylamino)cyclohexyl]methanol.
What is the SMILES notation for [4-(pyridin-4-ylmethylamino)cyclohexyl]methanol?
The canonical SMILES for [4-(pyridin-4-ylmethylamino)cyclohexyl]methanol is OCC1CCC(NCc2ccncc2)CC1.
What is the InChIKey of [4-(pyridin-4-ylmethylamino)cyclohexyl]methanol?
The InChIKey is MLRRBNHKZNONID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c16-10-12-1-3-13(4-2-12)15-9-11-5-7-14-8-6-11/h5-8,12-13,15-16H,1-4,9-10H2.
What are the key properties of [4-(pyridin-4-ylmethylamino)cyclohexyl]methanol?
[4-(pyridin-4-ylmethylamino)cyclohexyl]methanol has a molecular weight of 220.32 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(pyridin-4-ylmethylamino)cyclohexyl]methanol is sourced from PubChem (CID 103753143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).