[3-(piperazin-1-ylmethyl)phenyl]-piperidin-1-ylmethanone

C17H25N3O — CID 10755739

IUPAC[3-(piperazin-1-ylmethyl)phenyl]-piperidin-1-ylmethanone
SMILESO=C(c1cccc(CN2CCNCC2)c1)N1CCCCC1
InChIInChI=1S/C17H25N3O/c21-17(20-9-2-1-3-10-20)16-6-4-5-15(13-16)14-19-11-7-18-8-12-19/h4-6,13,18H,1-3,7-12,14H2
InChIKeyWVZUJLFJIDXGIN-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.72
Rot. Bonds3

About [3-(piperazin-1-ylmethyl)phenyl]-piperidin-1-ylmethanone

[3-(piperazin-1-ylmethyl)phenyl]-piperidin-1-ylmethanone (PubChem CID 10755739) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is [3-(piperazin-1-ylmethyl)phenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[3-(piperazin-1-ylmethyl)phenyl]-piperidin-1-ylmethanone
PubChem CID10755739
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name[3-(piperazin-1-ylmethyl)phenyl]-piperidin-1-ylmethanone
SMILESO=C(c1cccc(CN2CCNCC2)c1)N1CCCCC1
InChIInChI=1S/C17H25N3O/c21-17(20-9-2-1-3-10-20)16-6-4-5-15(13-16)14-19-11-7-18-8-12-19/h4-6,13,18H,1-3,7-12,14H2
InChIKeyWVZUJLFJIDXGIN-UHFFFAOYSA-N
XLogP1.72
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-diazepan-1-yl-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 119417788
1,4-diazepan-1-yl-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 119416822
[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone
CID 10828160
[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-piperazin-1-ylmethanone;dihydrochloride
CID 119402312
[3-[(3-hydroxypiperidin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone
CID 60527564
3-(1,4-diazepan-1-ylmethyl)benzamide;hydrochloride
CID 119906487
azepan-1-yl-(3-ethylphenyl)methanone
CID 59382478
[3-(chloromethyl)phenyl]-piperidin-1-ylmethanone
CID 10014405
[3-[[4-(3-methylphenyl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone
CID 60527766
(4-aminopiperidin-1-yl)-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone;dihydrochloride
CID 119376092
1-[[3-(piperazine-1-carbonyl)phenyl]methyl]pyridin-4-one
CID 39146763
[3-[(3-ethylazetidin-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 177347278

Frequently Asked Questions

What is the IUPAC name of [3-(piperazin-1-ylmethyl)phenyl]-piperidin-1-ylmethanone?
The IUPAC name of [3-(piperazin-1-ylmethyl)phenyl]-piperidin-1-ylmethanone (CID 10755739) is [3-(piperazin-1-ylmethyl)phenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [3-(piperazin-1-ylmethyl)phenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [3-(piperazin-1-ylmethyl)phenyl]-piperidin-1-ylmethanone is O=C(c1cccc(CN2CCNCC2)c1)N1CCCCC1.
What is the InChIKey of [3-(piperazin-1-ylmethyl)phenyl]-piperidin-1-ylmethanone?
The InChIKey is WVZUJLFJIDXGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c21-17(20-9-2-1-3-10-20)16-6-4-5-15(13-16)14-19-11-7-18-8-12-19/h4-6,13,18H,1-3,7-12,14H2.
What are the key properties of [3-(piperazin-1-ylmethyl)phenyl]-piperidin-1-ylmethanone?
[3-(piperazin-1-ylmethyl)phenyl]-piperidin-1-ylmethanone has a molecular weight of 287.41 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(piperazin-1-ylmethyl)phenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 10755739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).