2-(1-methylazepan-4-yl)-3-[1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]propan-1-ol

C23H39N3O — CID 156651655

IUPAC2-(1-methylazepan-4-yl)-3-[1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]propan-1-ol
SMILESCC(C)c1ccc(N2CCCC(CC(CO)C3CCCN(C)CC3)C2)cn1
InChIInChI=1S/C23H39N3O/c1-18(2)23-9-8-22(15-24-23)26-12-4-6-19(16-26)14-21(17-27)20-7-5-11-25(3)13-10-20/h8-9,15,18-21,27H,4-7,10-14,16-17H2,1-3H3
InChIKeyOHKYIEDVQHBBRN-UHFFFAOYSA-N
MW373.58 g/mol
LogP4.15
Rot. Bonds6

About 2-(1-methylazepan-4-yl)-3-[1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]propan-1-ol

2-(1-methylazepan-4-yl)-3-[1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]propan-1-ol (PubChem CID 156651655) has the molecular formula C23H39N3O and a molecular weight of 373.58 g/mol. Its IUPAC name is 2-(1-methylazepan-4-yl)-3-[1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]propan-1-ol.

Molecular Properties

Compound Name2-(1-methylazepan-4-yl)-3-[1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]propan-1-ol
PubChem CID156651655
Molecular FormulaC23H39N3O
Molecular Weight373.58 g/mol
Exact Mass373.31
IUPAC Name2-(1-methylazepan-4-yl)-3-[1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]propan-1-ol
SMILESCC(C)c1ccc(N2CCCC(CC(CO)C3CCCN(C)CC3)C2)cn1
InChIInChI=1S/C23H39N3O/c1-18(2)23-9-8-22(15-24-23)26-12-4-6-19(16-26)14-21(17-27)20-7-5-11-25(3)13-10-20/h8-9,15,18-21,27H,4-7,10-14,16-17H2,1-3H3
InChIKeyOHKYIEDVQHBBRN-UHFFFAOYSA-N
XLogP4.15
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.58
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylazepan-4-yl)-3-[1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]propan-1-ol?
The IUPAC name of 2-(1-methylazepan-4-yl)-3-[1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]propan-1-ol (CID 156651655) is 2-(1-methylazepan-4-yl)-3-[1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]propan-1-ol.
What is the SMILES notation for 2-(1-methylazepan-4-yl)-3-[1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]propan-1-ol?
The canonical SMILES for 2-(1-methylazepan-4-yl)-3-[1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]propan-1-ol is CC(C)c1ccc(N2CCCC(CC(CO)C3CCCN(C)CC3)C2)cn1.
What is the InChIKey of 2-(1-methylazepan-4-yl)-3-[1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]propan-1-ol?
The InChIKey is OHKYIEDVQHBBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39N3O/c1-18(2)23-9-8-22(15-24-23)26-12-4-6-19(16-26)14-21(17-27)20-7-5-11-25(3)13-10-20/h8-9,15,18-21,27H,4-7,10-14,16-17H2,1-3H3.
What are the key properties of 2-(1-methylazepan-4-yl)-3-[1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]propan-1-ol?
2-(1-methylazepan-4-yl)-3-[1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]propan-1-ol has a molecular weight of 373.58 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylazepan-4-yl)-3-[1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]propan-1-ol is sourced from PubChem (CID 156651655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).