1-[4-(hydroxymethyl)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one

C16H23NO2 — CID 54878914

IUPAC1-[4-(hydroxymethyl)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one
SMILESCc1ccc(CCC(=O)N2CCC(CO)CC2)cc1
InChIInChI=1S/C16H23NO2/c1-13-2-4-14(5-3-13)6-7-16(19)17-10-8-15(12-18)9-11-17/h2-5,15,18H,6-12H2,1H3
InChIKeyLVPMFJJPFORVPN-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.16
Rot. Bonds4

About 1-[4-(hydroxymethyl)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one

1-[4-(hydroxymethyl)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one (PubChem CID 54878914) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[4-(hydroxymethyl)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one.

Molecular Properties

Compound Name1-[4-(hydroxymethyl)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one
PubChem CID54878914
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name1-[4-(hydroxymethyl)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one
SMILESCc1ccc(CCC(=O)N2CCC(CO)CC2)cc1
InChIInChI=1S/C16H23NO2/c1-13-2-4-14(5-3-13)6-7-16(19)17-10-8-15(12-18)9-11-17/h2-5,15,18H,6-12H2,1H3
InChIKeyLVPMFJJPFORVPN-UHFFFAOYSA-N
XLogP2.16
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(aminomethyl)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 55220018
3-(4-methylphenyl)-1-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]propan-1-one
CID 108536889
1-[4-(methylamino)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one;hydrochloride
CID 119559786
1-(3-aminopyrrolidin-1-yl)-3-(4-methylphenyl)propan-1-one;hydrochloride
CID 119482522
1-[4-(1-chloroethyl)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 106838871
1-(3-hydroxy-4-methylpiperidin-1-yl)-3-(4-methylphenyl)propan-1-one
CID 103900134
2-methyl-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]propanamide
CID 110822595
4-methyl-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]benzamide
CID 108549141
3-[4-(dimethylamino)phenyl]-1-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 62370948
2-cyano-N-[[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]methyl]acetamide
CID 108922137
1-(3,4-dihydroxypyrrolidin-1-yl)-3-(4-methylphenyl)propan-1-one
CID 106670987
1-[4-(2-aminoethoxy)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 82688051

Frequently Asked Questions

What is the IUPAC name of 1-[4-(hydroxymethyl)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one?
The IUPAC name of 1-[4-(hydroxymethyl)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one (CID 54878914) is 1-[4-(hydroxymethyl)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one.
What is the SMILES notation for 1-[4-(hydroxymethyl)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one?
The canonical SMILES for 1-[4-(hydroxymethyl)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one is Cc1ccc(CCC(=O)N2CCC(CO)CC2)cc1.
What is the InChIKey of 1-[4-(hydroxymethyl)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one?
The InChIKey is LVPMFJJPFORVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-13-2-4-14(5-3-13)6-7-16(19)17-10-8-15(12-18)9-11-17/h2-5,15,18H,6-12H2,1H3.
What are the key properties of 1-[4-(hydroxymethyl)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one?
1-[4-(hydroxymethyl)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one has a molecular weight of 261.37 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(hydroxymethyl)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one is sourced from PubChem (CID 54878914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).