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

C14H26N2O2 — CID 62212438

IUPAC1-[3-(hydroxymethyl)piperidin-1-yl]-3-piperidin-4-ylpropan-1-one
SMILESO=C(CCC1CCNCC1)N1CCCC(CO)C1
InChIInChI=1S/C14H26N2O2/c17-11-13-2-1-9-16(10-13)14(18)4-3-12-5-7-15-8-6-12/h12-13,15,17H,1-11H2
InChIKeyOCKPAUXLNPTSKD-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.00
Rot. Bonds4

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

1-[3-(hydroxymethyl)piperidin-1-yl]-3-piperidin-4-ylpropan-1-one (PubChem CID 62212438) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-[3-(hydroxymethyl)piperidin-1-yl]-3-piperidin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-[3-(hydroxymethyl)piperidin-1-yl]-3-piperidin-4-ylpropan-1-one
PubChem CID62212438
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-[3-(hydroxymethyl)piperidin-1-yl]-3-piperidin-4-ylpropan-1-one
SMILESO=C(CCC1CCNCC1)N1CCCC(CO)C1
InChIInChI=1S/C14H26N2O2/c17-11-13-2-1-9-16(10-13)14(18)4-3-12-5-7-15-8-6-12/h12-13,15,17H,1-11H2
InChIKeyOCKPAUXLNPTSKD-UHFFFAOYSA-N
XLogP1.00
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carboxylic acid
CID 81125925
2-[[2-[1-(3-piperidin-4-ylpropanoyl)piperidin-3-yl]acetyl]amino]acetic acid;hydrochloride
CID 22611771
4-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-4-oxobutanoic acid
CID 93204224
1-[(3R)-3-aminopiperidin-1-yl]-3-cyclohexylpropan-1-one
CID 102978602
3-piperidin-4-yl-1-(4-propanoyl-1,4-diazepan-1-yl)propan-1-one
CID 62212540
2-(azetidin-3-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 64616768
5-[3-(hydroxymethyl)piperidin-1-yl]-5-oxopentanoic acid
CID 43590262
3-cyclobutyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-one
CID 120996967
1-[3-(2-aminoethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one;hydrochloride
CID 120727419
3-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-3-methylbutan-1-one
CID 64683995
3,3,3-trifluoro-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 43422447
6-amino-1-[3-(hydroxymethyl)piperidin-1-yl]hexan-1-one
CID 43590415

Frequently Asked Questions

What is the IUPAC name of 1-[3-(hydroxymethyl)piperidin-1-yl]-3-piperidin-4-ylpropan-1-one?
The IUPAC name of 1-[3-(hydroxymethyl)piperidin-1-yl]-3-piperidin-4-ylpropan-1-one (CID 62212438) is 1-[3-(hydroxymethyl)piperidin-1-yl]-3-piperidin-4-ylpropan-1-one.
What is the SMILES notation for 1-[3-(hydroxymethyl)piperidin-1-yl]-3-piperidin-4-ylpropan-1-one?
The canonical SMILES for 1-[3-(hydroxymethyl)piperidin-1-yl]-3-piperidin-4-ylpropan-1-one is O=C(CCC1CCNCC1)N1CCCC(CO)C1.
What is the InChIKey of 1-[3-(hydroxymethyl)piperidin-1-yl]-3-piperidin-4-ylpropan-1-one?
The InChIKey is OCKPAUXLNPTSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c17-11-13-2-1-9-16(10-13)14(18)4-3-12-5-7-15-8-6-12/h12-13,15,17H,1-11H2.
What are the key properties of 1-[3-(hydroxymethyl)piperidin-1-yl]-3-piperidin-4-ylpropan-1-one?
1-[3-(hydroxymethyl)piperidin-1-yl]-3-piperidin-4-ylpropan-1-one has a molecular weight of 254.37 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(hydroxymethyl)piperidin-1-yl]-3-piperidin-4-ylpropan-1-one is sourced from PubChem (CID 62212438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).