(2-methylpiperidin-1-yl)-(4-methyl-3-piperidin-4-ylphenyl)methanone

C19H28N2O — CID 171361858

IUPAC(2-methylpiperidin-1-yl)-(4-methyl-3-piperidin-4-ylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCCCC2C)cc1C1CCNCC1
InChIInChI=1S/C19H28N2O/c1-14-6-7-17(13-18(14)16-8-10-20-11-9-16)19(22)21-12-4-3-5-15(21)2/h6-7,13,15-16,20H,3-5,8-12H2,1-2H3
InChIKeyKIFATMQKGGQHDT-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.48
Rot. Bonds2

About (2-methylpiperidin-1-yl)-(4-methyl-3-piperidin-4-ylphenyl)methanone

(2-methylpiperidin-1-yl)-(4-methyl-3-piperidin-4-ylphenyl)methanone (PubChem CID 171361858) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is (2-methylpiperidin-1-yl)-(4-methyl-3-piperidin-4-ylphenyl)methanone.

Molecular Properties

Compound Name(2-methylpiperidin-1-yl)-(4-methyl-3-piperidin-4-ylphenyl)methanone
PubChem CID171361858
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name(2-methylpiperidin-1-yl)-(4-methyl-3-piperidin-4-ylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCCCC2C)cc1C1CCNCC1
InChIInChI=1S/C19H28N2O/c1-14-6-7-17(13-18(14)16-8-10-20-11-9-16)19(22)21-12-4-3-5-15(21)2/h6-7,13,15-16,20H,3-5,8-12H2,1-2H3
InChIKeyKIFATMQKGGQHDT-UHFFFAOYSA-N
XLogP3.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-fluoro-3-piperidin-4-ylphenyl)-(2-methylpiperidin-1-yl)methanone
CID 169488533
(4-fluoro-3-piperidin-4-ylphenyl)-(2-methylpiperidin-1-yl)methanone;hydrochloride
CID 169488532
(3-methylpiperidin-1-yl)-(4-methyl-3-piperidin-4-ylphenyl)methanone
CID 171361860
(4-methyl-3-nitrophenyl)-(2-methylpiperidin-1-yl)methanone
CID 4104154
(2,3-dimethyl-1H-indol-5-yl)-(2-methylpiperidin-1-yl)methanone
CID 43397948
4-methyl-3-pyrrolidin-3-ylbenzoic acid
CID 170156424
(4-aminophenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 713107
[3-(3-aminoprop-1-ynyl)-4-methylphenyl]-(2-methylazepan-1-yl)methanone
CID 81460594
(3,4-difluorophenyl)-(7-methyl-1,4-diazepan-1-yl)methanone
CID 82245250
(3-bromo-4-chlorophenyl)-(2-methylpiperidin-1-yl)methanone
CID 103841523
(3-chloro-4-iodophenyl)-(2-methylpiperidin-1-yl)methanone
CID 103734678
1H-indazol-5-yl-(2-methylpiperidin-1-yl)methanone
CID 110485432

Frequently Asked Questions

What is the IUPAC name of (2-methylpiperidin-1-yl)-(4-methyl-3-piperidin-4-ylphenyl)methanone?
The IUPAC name of (2-methylpiperidin-1-yl)-(4-methyl-3-piperidin-4-ylphenyl)methanone (CID 171361858) is (2-methylpiperidin-1-yl)-(4-methyl-3-piperidin-4-ylphenyl)methanone.
What is the SMILES notation for (2-methylpiperidin-1-yl)-(4-methyl-3-piperidin-4-ylphenyl)methanone?
The canonical SMILES for (2-methylpiperidin-1-yl)-(4-methyl-3-piperidin-4-ylphenyl)methanone is Cc1ccc(C(=O)N2CCCCC2C)cc1C1CCNCC1.
What is the InChIKey of (2-methylpiperidin-1-yl)-(4-methyl-3-piperidin-4-ylphenyl)methanone?
The InChIKey is KIFATMQKGGQHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c1-14-6-7-17(13-18(14)16-8-10-20-11-9-16)19(22)21-12-4-3-5-15(21)2/h6-7,13,15-16,20H,3-5,8-12H2,1-2H3.
What are the key properties of (2-methylpiperidin-1-yl)-(4-methyl-3-piperidin-4-ylphenyl)methanone?
(2-methylpiperidin-1-yl)-(4-methyl-3-piperidin-4-ylphenyl)methanone has a molecular weight of 300.45 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpiperidin-1-yl)-(4-methyl-3-piperidin-4-ylphenyl)methanone is sourced from PubChem (CID 171361858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).