[4-(methylamino)phenyl]-(2-methylpiperidin-1-yl)methanone

C14H20N2O — CID 62170939

IUPAC[4-(methylamino)phenyl]-(2-methylpiperidin-1-yl)methanone
SMILESCNc1ccc(C(=O)N2CCCCC2C)cc1
InChIInChI=1S/C14H20N2O/c1-11-5-3-4-10-16(11)14(17)12-6-8-13(15-2)9-7-12/h6-9,11,15H,3-5,10H2,1-2H3
InChIKeySYLHASLGYHSNMM-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.74
Rot. Bonds2

About [4-(methylamino)phenyl]-(2-methylpiperidin-1-yl)methanone

[4-(methylamino)phenyl]-(2-methylpiperidin-1-yl)methanone (PubChem CID 62170939) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is [4-(methylamino)phenyl]-(2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(methylamino)phenyl]-(2-methylpiperidin-1-yl)methanone
PubChem CID62170939
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name[4-(methylamino)phenyl]-(2-methylpiperidin-1-yl)methanone
SMILESCNc1ccc(C(=O)N2CCCCC2C)cc1
InChIInChI=1S/C14H20N2O/c1-11-5-3-4-10-16(11)14(17)12-6-8-13(15-2)9-7-12/h6-9,11,15H,3-5,10H2,1-2H3
InChIKeySYLHASLGYHSNMM-UHFFFAOYSA-N
XLogP2.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]acetamide
CID 669487
(4-aminophenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 713107
[4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-phenylmethanone
CID 2532732
[(2S)-2-methylpiperidin-1-yl]-[4-[[(3R)-thiolan-3-yl]amino]phenyl]methanone
CID 100706454
4-[[4-(2-methylpiperidine-1-carbonyl)anilino]methyl]benzoic acid
CID 122033520
[3-(methylamino)phenyl]-(2-methylpyrrolidin-1-yl)methanone
CID 83625399
2-(cyclopropylmethylamino)-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119712985
[4-[[(2S)-1-methoxypropan-2-yl]amino]phenyl]-[(2S)-2-methylpiperidin-1-yl]methanone
CID 100706518
[6-[(2S)-2-methylpiperidine-1-carbonyl]-3-pyridinyl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 1222984
cis-(1S,3R)-2,2-dimethyl-3-[[4-(2-methylpiperidine-1-carbonyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 122065358
N-[4-(2-methylpiperidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119283670
2,2-dimethyl-4-[4-[(2R)-2-methylpiperidine-1-carbonyl]anilino]-4-oxobutanoic acid
CID 99774161

Frequently Asked Questions

What is the IUPAC name of [4-(methylamino)phenyl]-(2-methylpiperidin-1-yl)methanone?
The IUPAC name of [4-(methylamino)phenyl]-(2-methylpiperidin-1-yl)methanone (CID 62170939) is [4-(methylamino)phenyl]-(2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-(methylamino)phenyl]-(2-methylpiperidin-1-yl)methanone?
The canonical SMILES for [4-(methylamino)phenyl]-(2-methylpiperidin-1-yl)methanone is CNc1ccc(C(=O)N2CCCCC2C)cc1.
What is the InChIKey of [4-(methylamino)phenyl]-(2-methylpiperidin-1-yl)methanone?
The InChIKey is SYLHASLGYHSNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-11-5-3-4-10-16(11)14(17)12-6-8-13(15-2)9-7-12/h6-9,11,15H,3-5,10H2,1-2H3.
What are the key properties of [4-(methylamino)phenyl]-(2-methylpiperidin-1-yl)methanone?
[4-(methylamino)phenyl]-(2-methylpiperidin-1-yl)methanone has a molecular weight of 232.33 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylamino)phenyl]-(2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 62170939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).