3-(1-pyridin-4-ylethylamino)cyclohexan-1-ol

C13H20N2O — CID 43751306

IUPAC3-(1-pyridin-4-ylethylamino)cyclohexan-1-ol
SMILESCC(NC1CCCC(O)C1)c1ccncc1
InChIInChI=1S/C13H20N2O/c1-10(11-5-7-14-8-6-11)15-12-3-2-4-13(16)9-12/h5-8,10,12-13,15-16H,2-4,9H2,1H3
InChIKeyNBHFYBPRBRXGJJ-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.04
Rot. Bonds3

About 3-(1-pyridin-4-ylethylamino)cyclohexan-1-ol

3-(1-pyridin-4-ylethylamino)cyclohexan-1-ol (PubChem CID 43751306) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-(1-pyridin-4-ylethylamino)cyclohexan-1-ol.

Molecular Properties

Compound Name3-(1-pyridin-4-ylethylamino)cyclohexan-1-ol
PubChem CID43751306
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-(1-pyridin-4-ylethylamino)cyclohexan-1-ol
SMILESCC(NC1CCCC(O)C1)c1ccncc1
InChIInChI=1S/C13H20N2O/c1-10(11-5-7-14-8-6-11)15-12-3-2-4-13(16)9-12/h5-8,10,12-13,15-16H,2-4,9H2,1H3
InChIKeyNBHFYBPRBRXGJJ-UHFFFAOYSA-N
XLogP2.04
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-phenylethylamino)cyclohexan-1-ol
CID 43751335
3-[1-(4-propan-2-ylphenyl)ethylamino]cyclohexan-1-ol
CID 43751281
N-[(1R)-1-pyridin-4-ylethyl]cycloheptanamine
CID 28646598
3-[1-(4-bromophenyl)ethylamino]cyclohexan-1-ol
CID 43751203
3-(1-pyridin-4-ylethylamino)cyclohexane-1-carboxylic acid
CID 65066385
2-(1-pyridin-4-ylethylamino)cyclopentan-1-ol
CID 60713516
trans-(1R,2R)-2-(1-pyridin-4-ylethylamino)cyclopentan-1-ol
CID 102733108
N-[(1S)-1-pyridin-4-ylethyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 81405721
N-[(1S)-1-pyridin-4-ylethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 81406202
3-ethyl-N-[(1S)-1-pyridin-4-ylethyl]cyclopentan-1-amine
CID 81405604
1-N-[(1S)-1-pyridin-4-ylethyl]cyclobutane-1,3-diamine
CID 81406194
3-methyl-N-[(1S)-1-pyridin-4-ylethyl]cyclobutan-1-amine
CID 103562196

Frequently Asked Questions

What is the IUPAC name of 3-(1-pyridin-4-ylethylamino)cyclohexan-1-ol?
The IUPAC name of 3-(1-pyridin-4-ylethylamino)cyclohexan-1-ol (CID 43751306) is 3-(1-pyridin-4-ylethylamino)cyclohexan-1-ol.
What is the SMILES notation for 3-(1-pyridin-4-ylethylamino)cyclohexan-1-ol?
The canonical SMILES for 3-(1-pyridin-4-ylethylamino)cyclohexan-1-ol is CC(NC1CCCC(O)C1)c1ccncc1.
What is the InChIKey of 3-(1-pyridin-4-ylethylamino)cyclohexan-1-ol?
The InChIKey is NBHFYBPRBRXGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10(11-5-7-14-8-6-11)15-12-3-2-4-13(16)9-12/h5-8,10,12-13,15-16H,2-4,9H2,1H3.
What are the key properties of 3-(1-pyridin-4-ylethylamino)cyclohexan-1-ol?
3-(1-pyridin-4-ylethylamino)cyclohexan-1-ol has a molecular weight of 220.32 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-pyridin-4-ylethylamino)cyclohexan-1-ol is sourced from PubChem (CID 43751306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).