2-methyl-1-[4-(2-methylphenyl)piperidin-1-yl]hexan-1-one

C19H29NO — CID 153400679

IUPAC2-methyl-1-[4-(2-methylphenyl)piperidin-1-yl]hexan-1-one
SMILESCCCCC(C)C(=O)N1CCC(c2ccccc2C)CC1
InChIInChI=1S/C19H29NO/c1-4-5-8-16(3)19(21)20-13-11-17(12-14-20)18-10-7-6-9-15(18)2/h6-7,9-10,16-17H,4-5,8,11-14H2,1-3H3
InChIKeyFYDZOWDBTGBVKM-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.53
Rot. Bonds5

About 2-methyl-1-[4-(2-methylphenyl)piperidin-1-yl]hexan-1-one

2-methyl-1-[4-(2-methylphenyl)piperidin-1-yl]hexan-1-one (PubChem CID 153400679) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 2-methyl-1-[4-(2-methylphenyl)piperidin-1-yl]hexan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-(2-methylphenyl)piperidin-1-yl]hexan-1-one
PubChem CID153400679
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name2-methyl-1-[4-(2-methylphenyl)piperidin-1-yl]hexan-1-one
SMILESCCCCC(C)C(=O)N1CCC(c2ccccc2C)CC1
InChIInChI=1S/C19H29NO/c1-4-5-8-16(3)19(21)20-13-11-17(12-14-20)18-10-7-6-9-15(18)2/h6-7,9-10,16-17H,4-5,8,11-14H2,1-3H3
InChIKeyFYDZOWDBTGBVKM-UHFFFAOYSA-N
XLogP4.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-1-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]butan-1-one
CID 95296201
(2R)-2-amino-1-[3-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 119314086
3-amino-1-[4-(2-methylphenyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 119775893
1-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-1-one
CID 95295911
4-methyl-1-[(3R)-3-(2-methylphenyl)piperidin-1-yl]pentan-1-one
CID 28769074
4-ethoxy-1-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]butan-1-one
CID 94821461
[5-[4-(2-methylphenyl)piperidin-1-yl]-5-oxopentyl]urea
CID 56782456
1-(2-methyl-5-phenylpentanoyl)piperidine-4-carboxylic acid
CID 120512247
1-[4-(aminomethyl)piperidin-1-yl]-2-methylheptan-1-one
CID 175666657
2-methyl-1-piperazin-1-ylhexan-1-one
CID 53216088
2-[2-[4-(2-methylphenyl)piperidine-1-carbonyl]phenyl]sulfanylpropanoic acid
CID 119184330
2-[3-(2-methylphenyl)pyrrolidine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120975828

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(2-methylphenyl)piperidin-1-yl]hexan-1-one?
The IUPAC name of 2-methyl-1-[4-(2-methylphenyl)piperidin-1-yl]hexan-1-one (CID 153400679) is 2-methyl-1-[4-(2-methylphenyl)piperidin-1-yl]hexan-1-one.
What is the SMILES notation for 2-methyl-1-[4-(2-methylphenyl)piperidin-1-yl]hexan-1-one?
The canonical SMILES for 2-methyl-1-[4-(2-methylphenyl)piperidin-1-yl]hexan-1-one is CCCCC(C)C(=O)N1CCC(c2ccccc2C)CC1.
What is the InChIKey of 2-methyl-1-[4-(2-methylphenyl)piperidin-1-yl]hexan-1-one?
The InChIKey is FYDZOWDBTGBVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-4-5-8-16(3)19(21)20-13-11-17(12-14-20)18-10-7-6-9-15(18)2/h6-7,9-10,16-17H,4-5,8,11-14H2,1-3H3.
What are the key properties of 2-methyl-1-[4-(2-methylphenyl)piperidin-1-yl]hexan-1-one?
2-methyl-1-[4-(2-methylphenyl)piperidin-1-yl]hexan-1-one has a molecular weight of 287.45 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(2-methylphenyl)piperidin-1-yl]hexan-1-one is sourced from PubChem (CID 153400679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).