(4-benzylpiperidin-1-yl)-(1-hydroxycyclopropyl)methanone

C16H21NO2 — CID 10611311

IUPAC(4-benzylpiperidin-1-yl)-(1-hydroxycyclopropyl)methanone
SMILESO=C(N1CCC(Cc2ccccc2)CC1)C1(O)CC1
InChIInChI=1S/C16H21NO2/c18-15(16(19)8-9-16)17-10-6-14(7-11-17)12-13-4-2-1-3-5-13/h1-5,14,19H,6-12H2
InChIKeyODPIAQGJGCIQAU-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.99
Rot. Bonds3

About (4-benzylpiperidin-1-yl)-(1-hydroxycyclopropyl)methanone

(4-benzylpiperidin-1-yl)-(1-hydroxycyclopropyl)methanone (PubChem CID 10611311) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-(1-hydroxycyclopropyl)methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-(1-hydroxycyclopropyl)methanone
PubChem CID10611311
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name(4-benzylpiperidin-1-yl)-(1-hydroxycyclopropyl)methanone
SMILESO=C(N1CCC(Cc2ccccc2)CC1)C1(O)CC1
InChIInChI=1S/C16H21NO2/c18-15(16(19)8-9-16)17-10-6-14(7-11-17)12-13-4-2-1-3-5-13/h1-5,14,19H,6-12H2
InChIKeyODPIAQGJGCIQAU-UHFFFAOYSA-N
XLogP1.99
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

AI3-37157
CID 760213
AI3-37156
CID 897567
(4-Benzylpiperidin-1-yl)oxoacetic acid
CID 16110264
1-(4-Benzylpiperidin-1-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one
CID 10852816
Cyclopropyl-[4-(3-methylphenyl)piperidin-1-yl]methanone
CID 53318241
2-Methyl-1-[4-benzylpiperidyl]pentan-1-one
CID 2890228
1-(4-Benzylpiperidin-1-yl)-2-hydroxypropan-1-one
CID 10705650
1-(4-Benzyl piperidin-1-yl)-2-hydroxy-2-methyl propan-1-one
CID 10801401
1-[(1-Methylcyclopropyl)carbonyl]-3-[2-(2-methylphenyl)ethyl]piperidine
CID 45223995
3-Methyl-1-[4-benzylpiperidyl]butan-1-one
CID 669876
Cyclopropyl-[4-(4-phenylpiperidine-1-carbonyl)piperidin-1-yl]methanone
CID 39580492
(3R)-3-hydroxy-3-[(4-methylpiperidin-1-yl)methyl]-1-(3-phenylpropyl)piperidin-2-one
CID 25364316

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-(1-hydroxycyclopropyl)methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-(1-hydroxycyclopropyl)methanone (CID 10611311) is (4-benzylpiperidin-1-yl)-(1-hydroxycyclopropyl)methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-(1-hydroxycyclopropyl)methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-(1-hydroxycyclopropyl)methanone is O=C(N1CCC(Cc2ccccc2)CC1)C1(O)CC1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-(1-hydroxycyclopropyl)methanone?
The InChIKey is ODPIAQGJGCIQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c18-15(16(19)8-9-16)17-10-6-14(7-11-17)12-13-4-2-1-3-5-13/h1-5,14,19H,6-12H2.
What are the key properties of (4-benzylpiperidin-1-yl)-(1-hydroxycyclopropyl)methanone?
(4-benzylpiperidin-1-yl)-(1-hydroxycyclopropyl)methanone has a molecular weight of 259.35 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-(1-hydroxycyclopropyl)methanone is sourced from PubChem (CID 10611311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).