1-(4-piperidin-1-ylnaphthalen-1-yl)propan-1-one

C18H21NO — CID 174478124

IUPAC1-(4-piperidin-1-ylnaphthalen-1-yl)propan-1-one
SMILESCCC(=O)c1ccc(N2CCCCC2)c2ccccc12
InChIInChI=1S/C18H21NO/c1-2-18(20)16-10-11-17(19-12-6-3-7-13-19)15-9-5-4-8-14(15)16/h4-5,8-11H,2-3,6-7,12-13H2,1H3
InChIKeyXIHSCQFEMPFEAV-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.42
Rot. Bonds3

About 1-(4-piperidin-1-ylnaphthalen-1-yl)propan-1-one

1-(4-piperidin-1-ylnaphthalen-1-yl)propan-1-one (PubChem CID 174478124) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-(4-piperidin-1-ylnaphthalen-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-piperidin-1-ylnaphthalen-1-yl)propan-1-one
PubChem CID174478124
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name1-(4-piperidin-1-ylnaphthalen-1-yl)propan-1-one
SMILESCCC(=O)c1ccc(N2CCCCC2)c2ccccc12
InChIInChI=1S/C18H21NO/c1-2-18(20)16-10-11-17(19-12-6-3-7-13-19)15-9-5-4-8-14(15)16/h4-5,8-11H,2-3,6-7,12-13H2,1H3
InChIKeyXIHSCQFEMPFEAV-UHFFFAOYSA-N
XLogP4.42
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-piperidin-1-ylnaphthalen-1-yl)propan-1-one?
The IUPAC name of 1-(4-piperidin-1-ylnaphthalen-1-yl)propan-1-one (CID 174478124) is 1-(4-piperidin-1-ylnaphthalen-1-yl)propan-1-one.
What is the SMILES notation for 1-(4-piperidin-1-ylnaphthalen-1-yl)propan-1-one?
The canonical SMILES for 1-(4-piperidin-1-ylnaphthalen-1-yl)propan-1-one is CCC(=O)c1ccc(N2CCCCC2)c2ccccc12.
What is the InChIKey of 1-(4-piperidin-1-ylnaphthalen-1-yl)propan-1-one?
The InChIKey is XIHSCQFEMPFEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-2-18(20)16-10-11-17(19-12-6-3-7-13-19)15-9-5-4-8-14(15)16/h4-5,8-11H,2-3,6-7,12-13H2,1H3.
What are the key properties of 1-(4-piperidin-1-ylnaphthalen-1-yl)propan-1-one?
1-(4-piperidin-1-ylnaphthalen-1-yl)propan-1-one has a molecular weight of 267.37 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-piperidin-1-ylnaphthalen-1-yl)propan-1-one is sourced from PubChem (CID 174478124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).