4-methyl-1-[(3R)-3-(2-methylphenyl)piperidin-1-yl]pentan-1-one

C18H27NO — CID 28769074

IUPAC4-methyl-1-[(3R)-3-(2-methylphenyl)piperidin-1-yl]pentan-1-one
SMILESCc1ccccc1[C@H]1CCCN(C(=O)CCC(C)C)C1
InChIInChI=1S/C18H27NO/c1-14(2)10-11-18(20)19-12-6-8-16(13-19)17-9-5-4-7-15(17)3/h4-5,7,9,14,16H,6,8,10-13H2,1-3H3/t16-/m0/s1
InChIKeyHFERGLLEBVQWOQ-INIZCTEOSA-N
MW273.42 g/mol
LogP4.14
Rot. Bonds4

About 4-methyl-1-[(3R)-3-(2-methylphenyl)piperidin-1-yl]pentan-1-one

4-methyl-1-[(3R)-3-(2-methylphenyl)piperidin-1-yl]pentan-1-one (PubChem CID 28769074) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 4-methyl-1-[(3R)-3-(2-methylphenyl)piperidin-1-yl]pentan-1-one.

Molecular Properties

Compound Name4-methyl-1-[(3R)-3-(2-methylphenyl)piperidin-1-yl]pentan-1-one
PubChem CID28769074
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name4-methyl-1-[(3R)-3-(2-methylphenyl)piperidin-1-yl]pentan-1-one
SMILESCc1ccccc1[C@H]1CCCN(C(=O)CCC(C)C)C1
InChIInChI=1S/C18H27NO/c1-14(2)10-11-18(20)19-12-6-8-16(13-19)17-9-5-4-7-15(17)3/h4-5,7,9,14,16H,6,8,10-13H2,1-3H3/t16-/m0/s1
InChIKeyHFERGLLEBVQWOQ-INIZCTEOSA-N
XLogP4.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.14
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
1-[3-[(3R)-3-(2-methylphenyl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one
CID 96580971
1-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-1-one
CID 95295911
4-methyl-1-(3-phenylpyrrolidin-1-yl)pentan-1-one
CID 60605253
1-[(3R)-3-(2-methylphenyl)piperidin-1-yl]-2-pyridin-2-ylethanone
CID 99973517
4-ethoxy-1-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]butan-1-one
CID 94821461
(3R)-N-(2-methoxy-2-methylpropyl)-3-(2-methylphenyl)piperidine-1-carboxamide
CID 126431344
3-methyl-1-(3-phenylpiperidin-1-yl)butan-1-one
CID 141126685
(2R)-2-amino-1-[3-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 119314086
1-[3-(2-fluoro-3-methylphenyl)piperidin-1-yl]-4-(trifluoromethyl)pent-4-en-1-one
CID 176577239
3-amino-1-[4-(2-methylphenyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 119775893
(3S)-N-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-methylphenyl)piperidine-1-carboxamide
CID 126450439

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(3R)-3-(2-methylphenyl)piperidin-1-yl]pentan-1-one?
The IUPAC name of 4-methyl-1-[(3R)-3-(2-methylphenyl)piperidin-1-yl]pentan-1-one (CID 28769074) is 4-methyl-1-[(3R)-3-(2-methylphenyl)piperidin-1-yl]pentan-1-one.
What is the SMILES notation for 4-methyl-1-[(3R)-3-(2-methylphenyl)piperidin-1-yl]pentan-1-one?
The canonical SMILES for 4-methyl-1-[(3R)-3-(2-methylphenyl)piperidin-1-yl]pentan-1-one is Cc1ccccc1[C@H]1CCCN(C(=O)CCC(C)C)C1.
What is the InChIKey of 4-methyl-1-[(3R)-3-(2-methylphenyl)piperidin-1-yl]pentan-1-one?
The InChIKey is HFERGLLEBVQWOQ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H27NO/c1-14(2)10-11-18(20)19-12-6-8-16(13-19)17-9-5-4-7-15(17)3/h4-5,7,9,14,16H,6,8,10-13H2,1-3H3/t16-/m0/s1.
What are the key properties of 4-methyl-1-[(3R)-3-(2-methylphenyl)piperidin-1-yl]pentan-1-one?
4-methyl-1-[(3R)-3-(2-methylphenyl)piperidin-1-yl]pentan-1-one has a molecular weight of 273.42 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(3R)-3-(2-methylphenyl)piperidin-1-yl]pentan-1-one is sourced from PubChem (CID 28769074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).