1-[(2-chlorophenyl)methyl]-4-cyclopentylpiperazine;oxalic acid

C18H25ClN2O4 — CID 17366702

IUPAC1-[(2-chlorophenyl)methyl]-4-cyclopentylpiperazine;oxalic acid
SMILESClc1ccccc1CN1CCN(C2CCCC2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C16H23ClN2.C2H2O4/c17-16-8-4-1-5-14(16)13-18-9-11-19(12-10-18)15-6-2-3-7-15;3-1(4)2(5)6/h1,4-5,8,15H,2-3,6-7,9-13H2;(H,3,4)(H,5,6)
InChIKeyLXUOPEOSCRMFCQ-UHFFFAOYSA-N
MW368.86 g/mol
LogP2.56
Rot. Bonds3

About 1-[(2-chlorophenyl)methyl]-4-cyclopentylpiperazine;oxalic acid

1-[(2-chlorophenyl)methyl]-4-cyclopentylpiperazine;oxalic acid (PubChem CID 17366702) has the molecular formula C18H25ClN2O4 and a molecular weight of 368.86 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-4-cyclopentylpiperazine;oxalic acid.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-4-cyclopentylpiperazine;oxalic acid
PubChem CID17366702
Molecular FormulaC18H25ClN2O4
Molecular Weight368.86 g/mol
Exact Mass368.15
IUPAC Name1-[(2-chlorophenyl)methyl]-4-cyclopentylpiperazine;oxalic acid
SMILESClc1ccccc1CN1CCN(C2CCCC2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C16H23ClN2.C2H2O4/c17-16-8-4-1-5-14(16)13-18-9-11-19(12-10-18)15-6-2-3-7-15;3-1(4)2(5)6/h1,4-5,8,15H,2-3,6-7,9-13H2;(H,3,4)(H,5,6)
InChIKeyLXUOPEOSCRMFCQ-UHFFFAOYSA-N
XLogP2.56
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.86
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-[(2-bromophenyl)methyl]-4-cyclopentylpiperazine;oxalic acid
CID 90483831
1-benzyl-4-cyclohexylpiperazine;oxalic acid
CID 126476719
1-[(4-chlorophenyl)methyl]-4-cycloheptylpiperazine;oxalic acid
CID 17366730
1-[(2-chlorophenyl)methyl]-N-cyclopentylpiperidine-4-carboxamide;oxalic acid
CID 2903315
1-cyclopentyl-4-[(2-fluorophenyl)methyl]piperazine
CID 740956
(9aS)-2-[(2-chlorophenyl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 124738363
4-[(2-chlorophenyl)methyl]-1-cyclopentyl-1,4-diazepan-5-one
CID 42168054
1-[(4-bromophenyl)methyl]-4-[(2-chlorophenyl)methyl]piperazine;oxalic acid
CID 90486163
1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-4-methyl-1,4-diazepane
CID 118887253
1-cycloheptyl-4-[(4-fluorophenyl)methyl]piperazine;oxalic acid
CID 90483560
[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-cyclopropylmethanone
CID 155674268
1-[(2-bromophenyl)methyl]-4-cyclopentylpiperazine
CID 7026530

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-4-cyclopentylpiperazine;oxalic acid?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-4-cyclopentylpiperazine;oxalic acid (CID 17366702) is 1-[(2-chlorophenyl)methyl]-4-cyclopentylpiperazine;oxalic acid.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-4-cyclopentylpiperazine;oxalic acid?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-4-cyclopentylpiperazine;oxalic acid is Clc1ccccc1CN1CCN(C2CCCC2)CC1.O=C(O)C(=O)O.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-4-cyclopentylpiperazine;oxalic acid?
The InChIKey is LXUOPEOSCRMFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2.C2H2O4/c17-16-8-4-1-5-14(16)13-18-9-11-19(12-10-18)15-6-2-3-7-15;3-1(4)2(5)6/h1,4-5,8,15H,2-3,6-7,9-13H2;(H,3,4)(H,5,6).
What are the key properties of 1-[(2-chlorophenyl)methyl]-4-cyclopentylpiperazine;oxalic acid?
1-[(2-chlorophenyl)methyl]-4-cyclopentylpiperazine;oxalic acid has a molecular weight of 368.86 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-4-cyclopentylpiperazine;oxalic acid is sourced from PubChem (CID 17366702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).