[1-(cyclopropylmethyl)piperidin-4-yl]-phenylmethanone

C16H21NO — CID 136515283

IUPAC[1-(cyclopropylmethyl)piperidin-4-yl]-phenylmethanone
SMILESO=C(c1ccccc1)C1CCN(CC2CC2)CC1
InChIInChI=1S/C16H21NO/c18-16(14-4-2-1-3-5-14)15-8-10-17(11-9-15)12-13-6-7-13/h1-5,13,15H,6-12H2
InChIKeyFPPZAZGZIAFHMP-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.99
Rot. Bonds4

About [1-(cyclopropylmethyl)piperidin-4-yl]-phenylmethanone

[1-(cyclopropylmethyl)piperidin-4-yl]-phenylmethanone (PubChem CID 136515283) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is [1-(cyclopropylmethyl)piperidin-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[1-(cyclopropylmethyl)piperidin-4-yl]-phenylmethanone
PubChem CID136515283
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name[1-(cyclopropylmethyl)piperidin-4-yl]-phenylmethanone
SMILESO=C(c1ccccc1)C1CCN(CC2CC2)CC1
InChIInChI=1S/C16H21NO/c18-16(14-4-2-1-3-5-14)15-8-10-17(11-9-15)12-13-6-7-13/h1-5,13,15H,6-12H2
InChIKeyFPPZAZGZIAFHMP-UHFFFAOYSA-N
XLogP2.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2-aminoethyl)piperidin-4-yl]-phenylmethanone
CID 91529814
(4-benzoylcyclohexyl)-phenylmethanone
CID 24722598
(1-hexylpiperidin-4-yl)-phenylmethanone
CID 21135926
(1-heptylpiperidin-4-yl)-phenylmethanone
CID 72793584
(4-fluorophenyl)-[1-(piperidin-4-ylmethyl)piperidin-4-yl]methanone;hydrochloride
CID 120847748
[1-[(2R)-2-hydroxybutyl]piperidin-4-yl]-phenylmethanone
CID 111487256
phenyl-[1-[2-[(R)-phenylsulfinyl]ethyl]piperidin-4-yl]methanone
CID 95330711
(4-methylphenyl)-[1-(piperidin-4-ylmethyl)piperidin-4-yl]methanone;hydrochloride
CID 119930769
2-[4-(4-benzoylpiperidin-1-yl)butyl]isoindole-1,3-dione
CID 16609140
2-(4-benzoylpiperidin-1-yl)-N-benzylacetamide
CID 26037570
[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-phenylmethanone
CID 19771944
2-(4-benzoylpiperidin-1-yl)-N-prop-2-ynylacetamide
CID 51322931

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylmethyl)piperidin-4-yl]-phenylmethanone?
The IUPAC name of [1-(cyclopropylmethyl)piperidin-4-yl]-phenylmethanone (CID 136515283) is [1-(cyclopropylmethyl)piperidin-4-yl]-phenylmethanone.
What is the SMILES notation for [1-(cyclopropylmethyl)piperidin-4-yl]-phenylmethanone?
The canonical SMILES for [1-(cyclopropylmethyl)piperidin-4-yl]-phenylmethanone is O=C(c1ccccc1)C1CCN(CC2CC2)CC1.
What is the InChIKey of [1-(cyclopropylmethyl)piperidin-4-yl]-phenylmethanone?
The InChIKey is FPPZAZGZIAFHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c18-16(14-4-2-1-3-5-14)15-8-10-17(11-9-15)12-13-6-7-13/h1-5,13,15H,6-12H2.
What are the key properties of [1-(cyclopropylmethyl)piperidin-4-yl]-phenylmethanone?
[1-(cyclopropylmethyl)piperidin-4-yl]-phenylmethanone has a molecular weight of 243.35 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylmethyl)piperidin-4-yl]-phenylmethanone is sourced from PubChem (CID 136515283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).