(1-methylpiperidin-3-yl)-(4-phenylphenyl)methanone

C19H21NO — CID 23723212

IUPAC(1-methylpiperidin-3-yl)-(4-phenylphenyl)methanone
SMILESCN1CCCC(C(=O)c2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C19H21NO/c1-20-13-5-8-18(14-20)19(21)17-11-9-16(10-12-17)15-6-3-2-4-7-15/h2-4,6-7,9-12,18H,5,8,13-14H2,1H3
InChIKeyKHRADFFRCSEJCH-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.88
Rot. Bonds3

About (1-methylpiperidin-3-yl)-(4-phenylphenyl)methanone

(1-methylpiperidin-3-yl)-(4-phenylphenyl)methanone (PubChem CID 23723212) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is (1-methylpiperidin-3-yl)-(4-phenylphenyl)methanone.

Molecular Properties

Compound Name(1-methylpiperidin-3-yl)-(4-phenylphenyl)methanone
PubChem CID23723212
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name(1-methylpiperidin-3-yl)-(4-phenylphenyl)methanone
SMILESCN1CCCC(C(=O)c2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C19H21NO/c1-20-13-5-8-18(14-20)19(21)17-11-9-16(10-12-17)15-6-3-2-4-7-15/h2-4,6-7,9-12,18H,5,8,13-14H2,1H3
InChIKeyKHRADFFRCSEJCH-UHFFFAOYSA-N
XLogP3.88
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-3-yl)-(4-phenylphenyl)methanone?
The IUPAC name of (1-methylpiperidin-3-yl)-(4-phenylphenyl)methanone (CID 23723212) is (1-methylpiperidin-3-yl)-(4-phenylphenyl)methanone.
What is the SMILES notation for (1-methylpiperidin-3-yl)-(4-phenylphenyl)methanone?
The canonical SMILES for (1-methylpiperidin-3-yl)-(4-phenylphenyl)methanone is CN1CCCC(C(=O)c2ccc(-c3ccccc3)cc2)C1.
What is the InChIKey of (1-methylpiperidin-3-yl)-(4-phenylphenyl)methanone?
The InChIKey is KHRADFFRCSEJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-20-13-5-8-18(14-20)19(21)17-11-9-16(10-12-17)15-6-3-2-4-7-15/h2-4,6-7,9-12,18H,5,8,13-14H2,1H3.
What are the key properties of (1-methylpiperidin-3-yl)-(4-phenylphenyl)methanone?
(1-methylpiperidin-3-yl)-(4-phenylphenyl)methanone has a molecular weight of 279.38 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-3-yl)-(4-phenylphenyl)methanone is sourced from PubChem (CID 23723212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).