3-[1-[1-(2-methylphenyl)piperidin-4-yl]-4-morpholin-4-ylpiperidin-3-yl]propan-1-ol

C24H39N3O2 — CID 156607184

IUPAC3-[1-[1-(2-methylphenyl)piperidin-4-yl]-4-morpholin-4-ylpiperidin-3-yl]propan-1-ol
SMILESCc1ccccc1N1CCC(N2CCC(N3CCOCC3)C(CCCO)C2)CC1
InChIInChI=1S/C24H39N3O2/c1-20-5-2-3-7-23(20)25-11-8-22(9-12-25)27-13-10-24(21(19-27)6-4-16-28)26-14-17-29-18-15-26/h2-3,5,7,21-22,24,28H,4,6,8-19H2,1H3
InChIKeyIBJYDIRQJIVHAV-UHFFFAOYSA-N
MW401.60 g/mol
LogP2.76
Rot. Bonds6

About 3-[1-[1-(2-methylphenyl)piperidin-4-yl]-4-morpholin-4-ylpiperidin-3-yl]propan-1-ol

3-[1-[1-(2-methylphenyl)piperidin-4-yl]-4-morpholin-4-ylpiperidin-3-yl]propan-1-ol (PubChem CID 156607184) has the molecular formula C24H39N3O2 and a molecular weight of 401.60 g/mol. Its IUPAC name is 3-[1-[1-(2-methylphenyl)piperidin-4-yl]-4-morpholin-4-ylpiperidin-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[1-(2-methylphenyl)piperidin-4-yl]-4-morpholin-4-ylpiperidin-3-yl]propan-1-ol
PubChem CID156607184
Molecular FormulaC24H39N3O2
Molecular Weight401.60 g/mol
Exact Mass401.30
IUPAC Name3-[1-[1-(2-methylphenyl)piperidin-4-yl]-4-morpholin-4-ylpiperidin-3-yl]propan-1-ol
SMILESCc1ccccc1N1CCC(N2CCC(N3CCOCC3)C(CCCO)C2)CC1
InChIInChI=1S/C24H39N3O2/c1-20-5-2-3-7-23(20)25-11-8-22(9-12-25)27-13-10-24(21(19-27)6-4-16-28)26-14-17-29-18-15-26/h2-3,5,7,21-22,24,28H,4,6,8-19H2,1H3
InChIKeyIBJYDIRQJIVHAV-UHFFFAOYSA-N
XLogP2.76
TPSA39.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.60
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[1-(2-methylphenyl)piperidin-4-yl]-4-morpholin-4-ylpiperidin-3-yl]propan-1-ol?
The IUPAC name of 3-[1-[1-(2-methylphenyl)piperidin-4-yl]-4-morpholin-4-ylpiperidin-3-yl]propan-1-ol (CID 156607184) is 3-[1-[1-(2-methylphenyl)piperidin-4-yl]-4-morpholin-4-ylpiperidin-3-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[1-(2-methylphenyl)piperidin-4-yl]-4-morpholin-4-ylpiperidin-3-yl]propan-1-ol?
The canonical SMILES for 3-[1-[1-(2-methylphenyl)piperidin-4-yl]-4-morpholin-4-ylpiperidin-3-yl]propan-1-ol is Cc1ccccc1N1CCC(N2CCC(N3CCOCC3)C(CCCO)C2)CC1.
What is the InChIKey of 3-[1-[1-(2-methylphenyl)piperidin-4-yl]-4-morpholin-4-ylpiperidin-3-yl]propan-1-ol?
The InChIKey is IBJYDIRQJIVHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39N3O2/c1-20-5-2-3-7-23(20)25-11-8-22(9-12-25)27-13-10-24(21(19-27)6-4-16-28)26-14-17-29-18-15-26/h2-3,5,7,21-22,24,28H,4,6,8-19H2,1H3.
What are the key properties of 3-[1-[1-(2-methylphenyl)piperidin-4-yl]-4-morpholin-4-ylpiperidin-3-yl]propan-1-ol?
3-[1-[1-(2-methylphenyl)piperidin-4-yl]-4-morpholin-4-ylpiperidin-3-yl]propan-1-ol has a molecular weight of 401.60 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[1-(2-methylphenyl)piperidin-4-yl]-4-morpholin-4-ylpiperidin-3-yl]propan-1-ol is sourced from PubChem (CID 156607184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).