(4-hydroxy-3-methylpiperidin-1-yl)-(2-phenylcyclopropyl)methanone

C16H21NO2 — CID 114501442

IUPAC(4-hydroxy-3-methylpiperidin-1-yl)-(2-phenylcyclopropyl)methanone
SMILESCC1CN(C(=O)C2CC2c2ccccc2)CCC1O
InChIInChI=1S/C16H21NO2/c1-11-10-17(8-7-15(11)18)16(19)14-9-13(14)12-5-3-2-4-6-12/h2-6,11,13-15,18H,7-10H2,1H3
InChIKeyFRCZPBBQLZEUTA-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.02
Rot. Bonds2

About (4-hydroxy-3-methylpiperidin-1-yl)-(2-phenylcyclopropyl)methanone

(4-hydroxy-3-methylpiperidin-1-yl)-(2-phenylcyclopropyl)methanone (PubChem CID 114501442) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is (4-hydroxy-3-methylpiperidin-1-yl)-(2-phenylcyclopropyl)methanone.

Molecular Properties

Compound Name(4-hydroxy-3-methylpiperidin-1-yl)-(2-phenylcyclopropyl)methanone
PubChem CID114501442
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name(4-hydroxy-3-methylpiperidin-1-yl)-(2-phenylcyclopropyl)methanone
SMILESCC1CN(C(=O)C2CC2c2ccccc2)CCC1O
InChIInChI=1S/C16H21NO2/c1-11-10-17(8-7-15(11)18)16(19)14-9-13(14)12-5-3-2-4-6-12/h2-6,11,13-15,18H,7-10H2,1H3
InChIKeyFRCZPBBQLZEUTA-UHFFFAOYSA-N
XLogP2.02
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-4-methylpiperidin-1-yl)-(2-phenylcyclopropyl)methanone
CID 102962104
(2-phenylcyclopropyl)-(3-phenylpyrrolidin-1-yl)methanone;hydrochloride
CID 5331349
[3-(aminomethyl)pyrrolidin-1-yl]-(2-phenylcyclopropyl)methanone
CID 81479336
(3-hydroxypiperidin-1-yl)-(2-phenylcyclopropyl)methanone
CID 78971302
[(3R)-3-aminopiperidin-1-yl]-(2-phenylcyclopropyl)methanone
CID 102978507
[(1R,2S)-2-aminocyclopentyl]-[(3S,4R)-3-methyl-4-phenylpiperidin-1-yl]methanone
CID 125146424
(3R)-N-methyl-N-phenyl-1-[(1R,2R)-2-phenylcyclopropanecarbonyl]pyrrolidine-3-carboxamide
CID 124862372
(3R)-N-methyl-N-phenyl-1-[(1S,2S)-2-phenylcyclopropanecarbonyl]pyrrolidine-3-carboxamide
CID 100650532
[4-(1-aminoethyl)piperidin-1-yl]-(2-phenylcyclopropyl)methanone
CID 81478205
2-[1-(2-phenylcyclopropanecarbonyl)piperidin-4-yl]acetic acid
CID 81368111
cyclopropyl-[(3R,4S)-4-hydroxy-3-phenylpiperidin-1-yl]methanone
CID 13039297
[(1S,2S)-2-phenylcyclopropyl]-piperazin-1-ylmethanone
CID 51893718

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-3-methylpiperidin-1-yl)-(2-phenylcyclopropyl)methanone?
The IUPAC name of (4-hydroxy-3-methylpiperidin-1-yl)-(2-phenylcyclopropyl)methanone (CID 114501442) is (4-hydroxy-3-methylpiperidin-1-yl)-(2-phenylcyclopropyl)methanone.
What is the SMILES notation for (4-hydroxy-3-methylpiperidin-1-yl)-(2-phenylcyclopropyl)methanone?
The canonical SMILES for (4-hydroxy-3-methylpiperidin-1-yl)-(2-phenylcyclopropyl)methanone is CC1CN(C(=O)C2CC2c2ccccc2)CCC1O.
What is the InChIKey of (4-hydroxy-3-methylpiperidin-1-yl)-(2-phenylcyclopropyl)methanone?
The InChIKey is FRCZPBBQLZEUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-11-10-17(8-7-15(11)18)16(19)14-9-13(14)12-5-3-2-4-6-12/h2-6,11,13-15,18H,7-10H2,1H3.
What are the key properties of (4-hydroxy-3-methylpiperidin-1-yl)-(2-phenylcyclopropyl)methanone?
(4-hydroxy-3-methylpiperidin-1-yl)-(2-phenylcyclopropyl)methanone has a molecular weight of 259.35 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-3-methylpiperidin-1-yl)-(2-phenylcyclopropyl)methanone is sourced from PubChem (CID 114501442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).