1-[3-[(propan-2-ylamino)methyl]phenyl]piperidin-2-one

C15H22N2O — CID 113352085

IUPAC1-[3-[(propan-2-ylamino)methyl]phenyl]piperidin-2-one
SMILESCC(C)NCc1cccc(N2CCCCC2=O)c1
InChIInChI=1S/C15H22N2O/c1-12(2)16-11-13-6-5-7-14(10-13)17-9-4-3-8-15(17)18/h5-7,10,12,16H,3-4,8-9,11H2,1-2H3
InChIKeyBRLDOMYPKSVSSN-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.70
Rot. Bonds4

About 1-[3-[(propan-2-ylamino)methyl]phenyl]piperidin-2-one

1-[3-[(propan-2-ylamino)methyl]phenyl]piperidin-2-one (PubChem CID 113352085) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-[3-[(propan-2-ylamino)methyl]phenyl]piperidin-2-one.

Molecular Properties

Compound Name1-[3-[(propan-2-ylamino)methyl]phenyl]piperidin-2-one
PubChem CID113352085
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-[3-[(propan-2-ylamino)methyl]phenyl]piperidin-2-one
SMILESCC(C)NCc1cccc(N2CCCCC2=O)c1
InChIInChI=1S/C15H22N2O/c1-12(2)16-11-13-6-5-7-14(10-13)17-9-4-3-8-15(17)18/h5-7,10,12,16H,3-4,8-9,11H2,1-2H3
InChIKeyBRLDOMYPKSVSSN-UHFFFAOYSA-N
XLogP2.70
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(methylaminomethyl)phenyl]piperidin-2-one
CID 63272190
ethane;1-(3-ethylphenyl)piperidin-2-one
CID 171523765
1-[3-(ethylaminomethyl)phenyl]pyrrolidin-2-one
CID 63272633
1-[3-[(chloroamino)methyl]phenyl]pyrrolidin-2-one
CID 88577305
4-[[[3-(2-oxopyrrolidin-1-yl)phenyl]methylamino]methyl]benzoic acid
CID 122030295
(2R)-2-methylsulfonyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
CID 94249524
(2R)-2-ethoxy-N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]butanamide
CID 94669760
2-ethoxy-N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]butanamide
CID 51093134
4-amino-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]pentanamide;hydrochloride
CID 120560369
3,3-dimethyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 39004153
1-[3-(methoxymethyl)phenyl]pyrrolidin-2-one
CID 58826741
1-[3-[(1R)-1-(2,3-dihydro-1-benzofuran-5-ylmethylamino)ethyl]phenyl]pyrrolidin-2-one
CID 95149643

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(propan-2-ylamino)methyl]phenyl]piperidin-2-one?
The IUPAC name of 1-[3-[(propan-2-ylamino)methyl]phenyl]piperidin-2-one (CID 113352085) is 1-[3-[(propan-2-ylamino)methyl]phenyl]piperidin-2-one.
What is the SMILES notation for 1-[3-[(propan-2-ylamino)methyl]phenyl]piperidin-2-one?
The canonical SMILES for 1-[3-[(propan-2-ylamino)methyl]phenyl]piperidin-2-one is CC(C)NCc1cccc(N2CCCCC2=O)c1.
What is the InChIKey of 1-[3-[(propan-2-ylamino)methyl]phenyl]piperidin-2-one?
The InChIKey is BRLDOMYPKSVSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-12(2)16-11-13-6-5-7-14(10-13)17-9-4-3-8-15(17)18/h5-7,10,12,16H,3-4,8-9,11H2,1-2H3.
What are the key properties of 1-[3-[(propan-2-ylamino)methyl]phenyl]piperidin-2-one?
1-[3-[(propan-2-ylamino)methyl]phenyl]piperidin-2-one has a molecular weight of 246.35 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(propan-2-ylamino)methyl]phenyl]piperidin-2-one is sourced from PubChem (CID 113352085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).