[1-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]cyclohexyl]methanol

C15H24N2O — CID 81419096

IUPAC[1-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]cyclohexyl]methanol
SMILESC[C@@H](NCC1(CO)CCCCC1)c1ccncc1
InChIInChI=1S/C15H24N2O/c1-13(14-5-9-16-10-6-14)17-11-15(12-18)7-3-2-4-8-15/h5-6,9-10,13,17-18H,2-4,7-8,11-12H2,1H3/t13-/m1/s1
InChIKeyHZVOUYWXOOKAFS-CYBMUJFWSA-N
MW248.37 g/mol
LogP2.67
Rot. Bonds5

About [1-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]cyclohexyl]methanol

[1-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]cyclohexyl]methanol (PubChem CID 81419096) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is [1-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]cyclohexyl]methanol
PubChem CID81419096
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name[1-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]cyclohexyl]methanol
SMILESC[C@@H](NCC1(CO)CCCCC1)c1ccncc1
InChIInChI=1S/C15H24N2O/c1-13(14-5-9-16-10-6-14)17-11-15(12-18)7-3-2-4-8-15/h5-6,9-10,13,17-18H,2-4,7-8,11-12H2,1H3/t13-/m1/s1
InChIKeyHZVOUYWXOOKAFS-CYBMUJFWSA-N
XLogP2.67
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[[1-(4-propylphenyl)ethylamino]methyl]cyclohexyl]methanol
CID 103965966
N-[(1-methylcyclopentyl)methyl]-1-pyridin-4-ylethanamine
CID 63820570
[1-[[1-(3,5-dimethylphenyl)ethylamino]methyl]cyclohexyl]methanol
CID 103965989
[1-[[1-(2-methylpyrazol-3-yl)ethylamino]methyl]cyclohexyl]methanol
CID 106758044
3-[1-[[1-(hydroxymethyl)cyclohexyl]methylamino]ethyl]phenol
CID 81412551
4-[1-[[1-(hydroxymethyl)cyclopropyl]methylamino]ethyl]phenol
CID 115454338
[1-[[1-[4-(difluoromethoxy)phenyl]ethylamino]methyl]cyclopentyl]methanol
CID 115358503
N-[(1-methylsulfanylcyclobutyl)methyl]-1-pyridin-4-ylethanamine
CID 107266129
[1-[[1-(4-fluorophenyl)ethylamino]methyl]cyclopropyl]methanol
CID 81343132
[1-[[1-(4-iodophenyl)ethylamino]methyl]cyclopropyl]methanol
CID 81343754
2-[1-[(1-pyridin-4-ylethylamino)methyl]cyclopropyl]acetonitrile
CID 65480567
[1-[[1-(5-methylfuran-2-yl)ethylamino]methyl]cyclohexyl]methanol
CID 81412663

Frequently Asked Questions

What is the IUPAC name of [1-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]cyclohexyl]methanol?
The IUPAC name of [1-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]cyclohexyl]methanol (CID 81419096) is [1-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]cyclohexyl]methanol is C[C@@H](NCC1(CO)CCCCC1)c1ccncc1.
What is the InChIKey of [1-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]cyclohexyl]methanol?
The InChIKey is HZVOUYWXOOKAFS-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H24N2O/c1-13(14-5-9-16-10-6-14)17-11-15(12-18)7-3-2-4-8-15/h5-6,9-10,13,17-18H,2-4,7-8,11-12H2,1H3/t13-/m1/s1.
What are the key properties of [1-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]cyclohexyl]methanol?
[1-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]cyclohexyl]methanol has a molecular weight of 248.37 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 81419096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).