4-(4-benzylpiperazin-1-yl)piperidine-1-carboxylic acid

C17H25N3O2 — CID 69053980

IUPAC4-(4-benzylpiperazin-1-yl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(N2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C17H25N3O2/c21-17(22)20-8-6-16(7-9-20)19-12-10-18(11-13-19)14-15-4-2-1-3-5-15/h1-5,16H,6-14H2,(H,21,22)
InChIKeyGKDGLORBCAHBJJ-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.95
Rot. Bonds3

About 4-(4-benzylpiperazin-1-yl)piperidine-1-carboxylic acid

4-(4-benzylpiperazin-1-yl)piperidine-1-carboxylic acid (PubChem CID 69053980) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 4-(4-benzylpiperazin-1-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(4-benzylpiperazin-1-yl)piperidine-1-carboxylic acid
PubChem CID69053980
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name4-(4-benzylpiperazin-1-yl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(N2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C17H25N3O2/c21-17(22)20-8-6-16(7-9-20)19-12-10-18(11-13-19)14-15-4-2-1-3-5-15/h1-5,16H,6-14H2,(H,21,22)
InChIKeyGKDGLORBCAHBJJ-UHFFFAOYSA-N
XLogP1.95
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-4-cyclopropylpiperazine
CID 69195043
1-benzyl-4-cyclohexylpiperazine;oxalic acid
CID 126476719
1-[4-(4-benzylpiperazin-1-yl)piperidin-1-yl]-3-methylbutan-1-one;oxalic acid
CID 2913366
4-(1-benzylpiperidin-3-yl)piperazine-1-carboxylic acid
CID 68706242
1-(1-benzylpiperidin-4-yl)-4-[(4-bromophenyl)methyl]piperazine;oxalic acid
CID 17366692
2-methylpropyl 4-(4-benzylpiperazin-1-yl)piperidine-1-carboxylate
CID 142773340
2-amino-1-[3-(4-benzylpiperazin-1-yl)piperidin-1-yl]ethanone
CID 84755578
1-(1-benzylpiperidin-4-yl)-4-[(3-methylphenyl)methyl]piperazine;oxalic acid
CID 17366774
1-(1-benzylpiperidin-4-yl)-4-[(4-methylsulfanylphenyl)methyl]piperazine;oxalic acid
CID 90483967
1-benzyl-4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperazine
CID 1334692
10-[[4-[(4,7,10-tricarboxy-1,4,7,10-tetrazacyclododec-1-yl)methyl]phenyl]methyl]-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylic acid
CID 101418290
1-(1-benzylpiperidin-4-yl)piperidin-4-ol
CID 67272846

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperazin-1-yl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(4-benzylpiperazin-1-yl)piperidine-1-carboxylic acid (CID 69053980) is 4-(4-benzylpiperazin-1-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(4-benzylpiperazin-1-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(4-benzylpiperazin-1-yl)piperidine-1-carboxylic acid is O=C(O)N1CCC(N2CCN(Cc3ccccc3)CC2)CC1.
What is the InChIKey of 4-(4-benzylpiperazin-1-yl)piperidine-1-carboxylic acid?
The InChIKey is GKDGLORBCAHBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c21-17(22)20-8-6-16(7-9-20)19-12-10-18(11-13-19)14-15-4-2-1-3-5-15/h1-5,16H,6-14H2,(H,21,22).
What are the key properties of 4-(4-benzylpiperazin-1-yl)piperidine-1-carboxylic acid?
4-(4-benzylpiperazin-1-yl)piperidine-1-carboxylic acid has a molecular weight of 303.41 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperazin-1-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 69053980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).