cyclopropyl-[4-(2-phenylethyl)piperidin-1-yl]methanone

C17H23NO — CID 86914488

IUPACcyclopropyl-[4-(2-phenylethyl)piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC(CCc2ccccc2)CC1
InChIInChI=1S/C17H23NO/c19-17(16-8-9-16)18-12-10-15(11-13-18)7-6-14-4-2-1-3-5-14/h1-5,15-16H,6-13H2
InChIKeyBAVLULNRMQHRCQ-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.27
Rot. Bonds4

About cyclopropyl-[4-(2-phenylethyl)piperidin-1-yl]methanone

cyclopropyl-[4-(2-phenylethyl)piperidin-1-yl]methanone (PubChem CID 86914488) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is cyclopropyl-[4-(2-phenylethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-(2-phenylethyl)piperidin-1-yl]methanone
PubChem CID86914488
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Namecyclopropyl-[4-(2-phenylethyl)piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC(CCc2ccccc2)CC1
InChIInChI=1S/C17H23NO/c19-17(16-8-9-16)18-12-10-15(11-13-18)7-6-14-4-2-1-3-5-14/h1-5,15-16H,6-13H2
InChIKeyBAVLULNRMQHRCQ-UHFFFAOYSA-N
XLogP3.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[4-[2-(4-methoxyphenyl)ethyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 146129180
2-[3-[4-(2-phenylethyl)piperidine-1-carbonyl]piperidin-1-yl]acetamide
CID 70767745
2-[(3S)-3-[4-(2-phenylethyl)piperidine-1-carbonyl]piperidin-1-yl]acetamide
CID 96579249
[(2S,4R)-4-hydroxypyrrolidin-2-yl]-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 124889673
tert-butyl 4-(2-phenylethyl)piperidine-1-carboxylate
CID 58041388
3-amino-3-phenyl-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one
CID 119949251
3-cyclohexyl-1-[4-[1-(3-phenylpropanoyl)piperidine-4-carbonyl]piperazin-1-yl]propan-1-one
CID 55916326
4-(3-phenylpropyl)piperidine-1-carboxylic acid
CID 67759674
(2R)-2-amino-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119276186
2-amino-3-phenyl-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one
CID 119276181
1-[(3S,6R)-3-amino-6-[4-(3-phenylpropyl)piperidine-1-carbonyl]azepan-1-yl]ethanone;hydrochloride
CID 166600050
[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 119275901

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-(2-phenylethyl)piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-(2-phenylethyl)piperidin-1-yl]methanone (CID 86914488) is cyclopropyl-[4-(2-phenylethyl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-(2-phenylethyl)piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-(2-phenylethyl)piperidin-1-yl]methanone is O=C(C1CC1)N1CCC(CCc2ccccc2)CC1.
What is the InChIKey of cyclopropyl-[4-(2-phenylethyl)piperidin-1-yl]methanone?
The InChIKey is BAVLULNRMQHRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c19-17(16-8-9-16)18-12-10-15(11-13-18)7-6-14-4-2-1-3-5-14/h1-5,15-16H,6-13H2.
What are the key properties of cyclopropyl-[4-(2-phenylethyl)piperidin-1-yl]methanone?
cyclopropyl-[4-(2-phenylethyl)piperidin-1-yl]methanone has a molecular weight of 257.38 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-(2-phenylethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 86914488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).