1-[4-[4-(2-methylpropyl)phenyl]piperidin-1-yl]pentan-1-one

C20H31NO — CID 171554333

IUPAC1-[4-[4-(2-methylpropyl)phenyl]piperidin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCC(c2ccc(CC(C)C)cc2)CC1
InChIInChI=1S/C20H31NO/c1-4-5-6-20(22)21-13-11-19(12-14-21)18-9-7-17(8-10-18)15-16(2)3/h7-10,16,19H,4-6,11-15H2,1-3H3
InChIKeyZUNWNQQOEIMUQJ-UHFFFAOYSA-N
MW301.47 g/mol
LogP4.78
Rot. Bonds6

About 1-[4-[4-(2-methylpropyl)phenyl]piperidin-1-yl]pentan-1-one

1-[4-[4-(2-methylpropyl)phenyl]piperidin-1-yl]pentan-1-one (PubChem CID 171554333) has the molecular formula C20H31NO and a molecular weight of 301.47 g/mol. Its IUPAC name is 1-[4-[4-(2-methylpropyl)phenyl]piperidin-1-yl]pentan-1-one.

Molecular Properties

Compound Name1-[4-[4-(2-methylpropyl)phenyl]piperidin-1-yl]pentan-1-one
PubChem CID171554333
Molecular FormulaC20H31NO
Molecular Weight301.47 g/mol
Exact Mass301.24
IUPAC Name1-[4-[4-(2-methylpropyl)phenyl]piperidin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCC(c2ccc(CC(C)C)cc2)CC1
InChIInChI=1S/C20H31NO/c1-4-5-6-20(22)21-13-11-19(12-14-21)18-9-7-17(8-10-18)15-16(2)3/h7-10,16,19H,4-6,11-15H2,1-3H3
InChIKeyZUNWNQQOEIMUQJ-UHFFFAOYSA-N
XLogP4.78
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.47
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-hydroxypiperidin-1-yl)-4-[4-(2-methylpropyl)phenyl]butan-1-one
CID 109378494
1-[4-(2-methylpropyl)piperidin-1-yl]pentan-1-one
CID 171554697
1-[4-(4-bromophenyl)piperidin-1-yl]-3-methylbutan-1-one
CID 71170432
4-hydroxy-1-[4-(4-methoxyphenyl)piperidin-1-yl]butan-1-one
CID 110480304
4-(4-propylphenyl)piperidine-1-carboxylic acid
CID 90967974
3-[4-(2-methylpropyl)phenyl]-1-piperazin-1-ylpropan-1-one
CID 95477399
1-[2-[4-(2-methylpropyl)phenyl]acetyl]piperidine-4-carboxamide
CID 51218966
5-(4-chlorophenyl)-1-[4-(4-fluorophenyl)piperidin-1-yl]pentan-1-one
CID 57153662
1-[4,7,10,13,16-penta(pentanoyl)-1,4,7,10,13,16-hexazacyclooctadec-1-yl]pentan-1-one
CID 603333
2-[4-(2-methylpropyl)phenyl]-1-piperazin-1-ylethanone
CID 82132922
1-[4-(1-methylpiperidin-4-yl)phenyl]pentan-1-one
CID 101453044
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-[4-(2-methylpropyl)phenyl]ethanone;hydrochloride
CID 119646554

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(2-methylpropyl)phenyl]piperidin-1-yl]pentan-1-one?
The IUPAC name of 1-[4-[4-(2-methylpropyl)phenyl]piperidin-1-yl]pentan-1-one (CID 171554333) is 1-[4-[4-(2-methylpropyl)phenyl]piperidin-1-yl]pentan-1-one.
What is the SMILES notation for 1-[4-[4-(2-methylpropyl)phenyl]piperidin-1-yl]pentan-1-one?
The canonical SMILES for 1-[4-[4-(2-methylpropyl)phenyl]piperidin-1-yl]pentan-1-one is CCCCC(=O)N1CCC(c2ccc(CC(C)C)cc2)CC1.
What is the InChIKey of 1-[4-[4-(2-methylpropyl)phenyl]piperidin-1-yl]pentan-1-one?
The InChIKey is ZUNWNQQOEIMUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO/c1-4-5-6-20(22)21-13-11-19(12-14-21)18-9-7-17(8-10-18)15-16(2)3/h7-10,16,19H,4-6,11-15H2,1-3H3.
What are the key properties of 1-[4-[4-(2-methylpropyl)phenyl]piperidin-1-yl]pentan-1-one?
1-[4-[4-(2-methylpropyl)phenyl]piperidin-1-yl]pentan-1-one has a molecular weight of 301.47 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(2-methylpropyl)phenyl]piperidin-1-yl]pentan-1-one is sourced from PubChem (CID 171554333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).