[4-(hydroxymethyl)piperidin-1-yl]-phenylmethanone

C13H17NO2 — CID 10262870

IUPAC[4-(hydroxymethyl)piperidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC(CO)CC1
InChIInChI=1S/C13H17NO2/c15-10-11-6-8-14(9-7-11)13(16)12-4-2-1-3-5-12/h1-5,11,15H,6-10H2
InChIKeyRLTIVBMLQJFUOB-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.53
Rot. Bonds2

About [4-(hydroxymethyl)piperidin-1-yl]-phenylmethanone

[4-(hydroxymethyl)piperidin-1-yl]-phenylmethanone (PubChem CID 10262870) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is [4-(hydroxymethyl)piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(hydroxymethyl)piperidin-1-yl]-phenylmethanone
PubChem CID10262870
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name[4-(hydroxymethyl)piperidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC(CO)CC1
InChIInChI=1S/C13H17NO2/c15-10-11-6-8-14(9-7-11)13(16)12-4-2-1-3-5-12/h1-5,11,15H,6-10H2
InChIKeyRLTIVBMLQJFUOB-UHFFFAOYSA-N
XLogP1.53
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)piperidin-1-yl]-phenylmethanone?
The IUPAC name of [4-(hydroxymethyl)piperidin-1-yl]-phenylmethanone (CID 10262870) is [4-(hydroxymethyl)piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-(hydroxymethyl)piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [4-(hydroxymethyl)piperidin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCC(CO)CC1.
What is the InChIKey of [4-(hydroxymethyl)piperidin-1-yl]-phenylmethanone?
The InChIKey is RLTIVBMLQJFUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c15-10-11-6-8-14(9-7-11)13(16)12-4-2-1-3-5-12/h1-5,11,15H,6-10H2.
What are the key properties of [4-(hydroxymethyl)piperidin-1-yl]-phenylmethanone?
[4-(hydroxymethyl)piperidin-1-yl]-phenylmethanone has a molecular weight of 219.28 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 10262870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).