2-cyclopropyl-1-[2-[(4-hydroxyphenyl)methyl]piperidin-1-yl]propan-1-one

C18H25NO2 — CID 136572561

IUPAC2-cyclopropyl-1-[2-[(4-hydroxyphenyl)methyl]piperidin-1-yl]propan-1-one
SMILESCC(C(=O)N1CCCCC1Cc1ccc(O)cc1)C1CC1
InChIInChI=1S/C18H25NO2/c1-13(15-7-8-15)18(21)19-11-3-2-4-16(19)12-14-5-9-17(20)10-6-14/h5-6,9-10,13,15-16,20H,2-4,7-8,11-12H2,1H3
InChIKeyJWMDMRMOBGTVQD-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.36
Rot. Bonds4

About 2-cyclopropyl-1-[2-[(4-hydroxyphenyl)methyl]piperidin-1-yl]propan-1-one

2-cyclopropyl-1-[2-[(4-hydroxyphenyl)methyl]piperidin-1-yl]propan-1-one (PubChem CID 136572561) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 2-cyclopropyl-1-[2-[(4-hydroxyphenyl)methyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-cyclopropyl-1-[2-[(4-hydroxyphenyl)methyl]piperidin-1-yl]propan-1-one
PubChem CID136572561
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name2-cyclopropyl-1-[2-[(4-hydroxyphenyl)methyl]piperidin-1-yl]propan-1-one
SMILESCC(C(=O)N1CCCCC1Cc1ccc(O)cc1)C1CC1
InChIInChI=1S/C18H25NO2/c1-13(15-7-8-15)18(21)19-11-3-2-4-16(19)12-14-5-9-17(20)10-6-14/h5-6,9-10,13,15-16,20H,2-4,7-8,11-12H2,1H3
InChIKeyJWMDMRMOBGTVQD-UHFFFAOYSA-N
XLogP3.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(aminomethyl)pyrrolidin-1-yl]-2-cyclopropylpropan-1-one
CID 81482767
1-(2-benzylpyrrolidin-1-yl)-3-bromo-2-methylpropan-1-one
CID 159719020
methyl 2-benzylazepane-1-carboxylate
CID 102314657
(2R)-2-amino-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-(4-hydroxyphenyl)propan-1-one
CID 104905114
1-[2-(3-bromopropyl)pyrrolidin-1-yl]-2-cyclopropylpropan-1-one
CID 83150427
(2R)-1-(2-cyclopropylpropanoyl)piperidine-2-carboxylic acid
CID 83146744
2-[(4-carbamoylphenyl)methyl]piperidine-1-carboxylic acid;hydrochloride
CID 141153297
2-amino-1-[2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]pentan-1-one
CID 119316545
benzyl 2-[(4-methylphenyl)methyl]piperidine-1-carboxylate
CID 101478635
1-[2-(1-aminoethyl)piperidin-1-yl]-2-(4-hydroxyphenyl)ethanone
CID 63255198
(2S)-2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-(4-hydroxyphenyl)propan-1-one
CID 61409766
methyl 4-[(2R)-2-benzylpiperidin-1-yl]-4-oxobutanoate
CID 95310445

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[2-[(4-hydroxyphenyl)methyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 2-cyclopropyl-1-[2-[(4-hydroxyphenyl)methyl]piperidin-1-yl]propan-1-one (CID 136572561) is 2-cyclopropyl-1-[2-[(4-hydroxyphenyl)methyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-cyclopropyl-1-[2-[(4-hydroxyphenyl)methyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-cyclopropyl-1-[2-[(4-hydroxyphenyl)methyl]piperidin-1-yl]propan-1-one is CC(C(=O)N1CCCCC1Cc1ccc(O)cc1)C1CC1.
What is the InChIKey of 2-cyclopropyl-1-[2-[(4-hydroxyphenyl)methyl]piperidin-1-yl]propan-1-one?
The InChIKey is JWMDMRMOBGTVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-13(15-7-8-15)18(21)19-11-3-2-4-16(19)12-14-5-9-17(20)10-6-14/h5-6,9-10,13,15-16,20H,2-4,7-8,11-12H2,1H3.
What are the key properties of 2-cyclopropyl-1-[2-[(4-hydroxyphenyl)methyl]piperidin-1-yl]propan-1-one?
2-cyclopropyl-1-[2-[(4-hydroxyphenyl)methyl]piperidin-1-yl]propan-1-one has a molecular weight of 287.40 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[2-[(4-hydroxyphenyl)methyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 136572561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).