1-amino-2-pyridin-4-ylcyclohexan-1-ol

C11H16N2O — CID 174671980

IUPAC1-amino-2-pyridin-4-ylcyclohexan-1-ol
SMILESNC1(O)CCCCC1c1ccncc1
InChIInChI=1S/C11H16N2O/c12-11(14)6-2-1-3-10(11)9-4-7-13-8-5-9/h4-5,7-8,10,14H,1-3,6,12H2
InChIKeyRGSQWBUIRDWPDJ-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.39
Rot. Bonds1

About 1-amino-2-pyridin-4-ylcyclohexan-1-ol

1-amino-2-pyridin-4-ylcyclohexan-1-ol (PubChem CID 174671980) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-amino-2-pyridin-4-ylcyclohexan-1-ol.

Molecular Properties

Compound Name1-amino-2-pyridin-4-ylcyclohexan-1-ol
PubChem CID174671980
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name1-amino-2-pyridin-4-ylcyclohexan-1-ol
SMILESNC1(O)CCCCC1c1ccncc1
InChIInChI=1S/C11H16N2O/c12-11(14)6-2-1-3-10(11)9-4-7-13-8-5-9/h4-5,7-8,10,14H,1-3,6,12H2
InChIKeyRGSQWBUIRDWPDJ-UHFFFAOYSA-N
XLogP1.39
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-pyridin-4-ylcyclohexan-1-ol?
The IUPAC name of 1-amino-2-pyridin-4-ylcyclohexan-1-ol (CID 174671980) is 1-amino-2-pyridin-4-ylcyclohexan-1-ol.
What is the SMILES notation for 1-amino-2-pyridin-4-ylcyclohexan-1-ol?
The canonical SMILES for 1-amino-2-pyridin-4-ylcyclohexan-1-ol is NC1(O)CCCCC1c1ccncc1.
What is the InChIKey of 1-amino-2-pyridin-4-ylcyclohexan-1-ol?
The InChIKey is RGSQWBUIRDWPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c12-11(14)6-2-1-3-10(11)9-4-7-13-8-5-9/h4-5,7-8,10,14H,1-3,6,12H2.
What are the key properties of 1-amino-2-pyridin-4-ylcyclohexan-1-ol?
1-amino-2-pyridin-4-ylcyclohexan-1-ol has a molecular weight of 192.26 g/mol, XLogP of 1.39, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-pyridin-4-ylcyclohexan-1-ol is sourced from PubChem (CID 174671980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).