1-[4-[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]piperidin-1-yl]ethanone

C21H32N2O2 — CID 50977975

IUPAC1-[4-[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(N2CCC(C(O)CCc3ccccc3)CC2)CC1
InChIInChI=1S/C21H32N2O2/c1-17(24)22-15-11-20(12-16-22)23-13-9-19(10-14-23)21(25)8-7-18-5-3-2-4-6-18/h2-6,19-21,25H,7-16H2,1H3
InChIKeyHXCIYYWVCQFPFW-UHFFFAOYSA-N
MW344.50 g/mol
LogP2.70
Rot. Bonds5

About 1-[4-[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]piperidin-1-yl]ethanone

1-[4-[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]piperidin-1-yl]ethanone (PubChem CID 50977975) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 1-[4-[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]piperidin-1-yl]ethanone
PubChem CID50977975
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC Name1-[4-[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(N2CCC(C(O)CCc3ccccc3)CC2)CC1
InChIInChI=1S/C21H32N2O2/c1-17(24)22-15-11-20(12-16-22)23-13-9-19(10-14-23)21(25)8-7-18-5-3-2-4-6-18/h2-6,19-21,25H,7-16H2,1H3
InChIKeyHXCIYYWVCQFPFW-UHFFFAOYSA-N
XLogP2.70
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]piperidin-1-yl]ethanone (CID 50977975) is 1-[4-[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(N2CCC(C(O)CCc3ccccc3)CC2)CC1.
What is the InChIKey of 1-[4-[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]piperidin-1-yl]ethanone?
The InChIKey is HXCIYYWVCQFPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-17(24)22-15-11-20(12-16-22)23-13-9-19(10-14-23)21(25)8-7-18-5-3-2-4-6-18/h2-6,19-21,25H,7-16H2,1H3.
What are the key properties of 1-[4-[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]piperidin-1-yl]ethanone?
1-[4-[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]piperidin-1-yl]ethanone has a molecular weight of 344.50 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 50977975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).