4-[methyl-[5-(3-phenylpiperidin-1-yl)-2-pyridinyl]amino]cyclohexan-1-ol

C23H31N3O — CID 135146872

IUPAC4-[methyl-[5-(3-phenylpiperidin-1-yl)-2-pyridinyl]amino]cyclohexan-1-ol
SMILESCN(c1ccc(N2CCCC(c3ccccc3)C2)cn1)C1CCC(O)CC1
InChIInChI=1S/C23H31N3O/c1-25(20-9-12-22(27)13-10-20)23-14-11-21(16-24-23)26-15-5-8-19(17-26)18-6-3-2-4-7-18/h2-4,6-7,11,14,16,19-20,22,27H,5,8-10,12-13,15,17H2,1H3
InChIKeyYIDKLBVQZQTQDQ-UHFFFAOYSA-N
MW365.52 g/mol
LogP4.21
Rot. Bonds4

About 4-[methyl-[5-(3-phenylpiperidin-1-yl)-2-pyridinyl]amino]cyclohexan-1-ol

4-[methyl-[5-(3-phenylpiperidin-1-yl)-2-pyridinyl]amino]cyclohexan-1-ol (PubChem CID 135146872) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is 4-[methyl-[5-(3-phenylpiperidin-1-yl)-2-pyridinyl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[methyl-[5-(3-phenylpiperidin-1-yl)-2-pyridinyl]amino]cyclohexan-1-ol
PubChem CID135146872
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC Name4-[methyl-[5-(3-phenylpiperidin-1-yl)-2-pyridinyl]amino]cyclohexan-1-ol
SMILESCN(c1ccc(N2CCCC(c3ccccc3)C2)cn1)C1CCC(O)CC1
InChIInChI=1S/C23H31N3O/c1-25(20-9-12-22(27)13-10-20)23-14-11-21(16-24-23)26-15-5-8-19(17-26)18-6-3-2-4-7-18/h2-4,6-7,11,14,16,19-20,22,27H,5,8-10,12-13,15,17H2,1H3
InChIKeyYIDKLBVQZQTQDQ-UHFFFAOYSA-N
XLogP4.21
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[5-(3-phenylpiperidin-1-yl)-2-pyridinyl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[methyl-[5-(3-phenylpiperidin-1-yl)-2-pyridinyl]amino]cyclohexan-1-ol (CID 135146872) is 4-[methyl-[5-(3-phenylpiperidin-1-yl)-2-pyridinyl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[methyl-[5-(3-phenylpiperidin-1-yl)-2-pyridinyl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[methyl-[5-(3-phenylpiperidin-1-yl)-2-pyridinyl]amino]cyclohexan-1-ol is CN(c1ccc(N2CCCC(c3ccccc3)C2)cn1)C1CCC(O)CC1.
What is the InChIKey of 4-[methyl-[5-(3-phenylpiperidin-1-yl)-2-pyridinyl]amino]cyclohexan-1-ol?
The InChIKey is YIDKLBVQZQTQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O/c1-25(20-9-12-22(27)13-10-20)23-14-11-21(16-24-23)26-15-5-8-19(17-26)18-6-3-2-4-7-18/h2-4,6-7,11,14,16,19-20,22,27H,5,8-10,12-13,15,17H2,1H3.
What are the key properties of 4-[methyl-[5-(3-phenylpiperidin-1-yl)-2-pyridinyl]amino]cyclohexan-1-ol?
4-[methyl-[5-(3-phenylpiperidin-1-yl)-2-pyridinyl]amino]cyclohexan-1-ol has a molecular weight of 365.52 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[5-(3-phenylpiperidin-1-yl)-2-pyridinyl]amino]cyclohexan-1-ol is sourced from PubChem (CID 135146872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).