1-[(3-chloro-2-pyrrolidin-1-ylphenyl)methyl]piperazine;piperazine

C19H32ClN5 — CID 174835848

IUPAC1-[(3-chloro-2-pyrrolidin-1-ylphenyl)methyl]piperazine;piperazine
SMILESC1CNCCN1.Clc1cccc(CN2CCNCC2)c1N1CCCC1
InChIInChI=1S/C15H22ClN3.C4H10N2/c16-14-5-3-4-13(12-18-10-6-17-7-11-18)15(14)19-8-1-2-9-19;1-2-6-4-3-5-1/h3-5,17H,1-2,6-12H2;5-6H,1-4H2
InChIKeyLWXGVZCAXLLGQP-UHFFFAOYSA-N
MW365.95 g/mol
LogP1.52
Rot. Bonds3

About 1-[(3-chloro-2-pyrrolidin-1-ylphenyl)methyl]piperazine;piperazine

1-[(3-chloro-2-pyrrolidin-1-ylphenyl)methyl]piperazine;piperazine (PubChem CID 174835848) has the molecular formula C19H32ClN5 and a molecular weight of 365.95 g/mol. Its IUPAC name is 1-[(3-chloro-2-pyrrolidin-1-ylphenyl)methyl]piperazine;piperazine.

Molecular Properties

Compound Name1-[(3-chloro-2-pyrrolidin-1-ylphenyl)methyl]piperazine;piperazine
PubChem CID174835848
Molecular FormulaC19H32ClN5
Molecular Weight365.95 g/mol
Exact Mass365.23
IUPAC Name1-[(3-chloro-2-pyrrolidin-1-ylphenyl)methyl]piperazine;piperazine
SMILESC1CNCCN1.Clc1cccc(CN2CCNCC2)c1N1CCCC1
InChIInChI=1S/C15H22ClN3.C4H10N2/c16-14-5-3-4-13(12-18-10-6-17-7-11-18)15(14)19-8-1-2-9-19;1-2-6-4-3-5-1/h3-5,17H,1-2,6-12H2;5-6H,1-4H2
InChIKeyLWXGVZCAXLLGQP-UHFFFAOYSA-N
XLogP1.52
TPSA42.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.95
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[(3-chloro-2-pyrrolidin-1-ylphenyl)methyl]piperazine;piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2,6-dichlorophenyl)methyl]piperazine
CID 770796
1-[(3-chloro-2-ethoxyphenyl)methyl]piperazine
CID 120833653
3-chloro-2-piperazin-1-ylphenol
CID 84679423
7-chloro-3-(1,4-diazepan-1-ylmethyl)-1H-indole
CID 82501403
1-[2-[2-(pyrrolidin-1-ylmethyl)phenyl]ethyl]piperazine
CID 117436770
1-[(2-chloro-3-pyridinyl)methyl]piperazine
CID 62471076
4-chloro-1-methyl-3-(piperazin-1-ylmethyl)indole
CID 82666815
1-[(2,3-dichlorophenyl)methyl]azetidine
CID 131042479
1-[(2-chloro-3-pyridinyl)methyl]-1,4-diazepane
CID 62471077
1-[(2-chlorophenyl)methyl]azepane
CID 17017924
1-[(2-ethylphenyl)methyl]piperazine
CID 62415674
3-chloro-6-(piperazin-1-ylmethyl)benzene-1,2-diol
CID 117358874

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-2-pyrrolidin-1-ylphenyl)methyl]piperazine;piperazine?
The IUPAC name of 1-[(3-chloro-2-pyrrolidin-1-ylphenyl)methyl]piperazine;piperazine (CID 174835848) is 1-[(3-chloro-2-pyrrolidin-1-ylphenyl)methyl]piperazine;piperazine.
What is the SMILES notation for 1-[(3-chloro-2-pyrrolidin-1-ylphenyl)methyl]piperazine;piperazine?
The canonical SMILES for 1-[(3-chloro-2-pyrrolidin-1-ylphenyl)methyl]piperazine;piperazine is C1CNCCN1.Clc1cccc(CN2CCNCC2)c1N1CCCC1.
What is the InChIKey of 1-[(3-chloro-2-pyrrolidin-1-ylphenyl)methyl]piperazine;piperazine?
The InChIKey is LWXGVZCAXLLGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3.C4H10N2/c16-14-5-3-4-13(12-18-10-6-17-7-11-18)15(14)19-8-1-2-9-19;1-2-6-4-3-5-1/h3-5,17H,1-2,6-12H2;5-6H,1-4H2.
What are the key properties of 1-[(3-chloro-2-pyrrolidin-1-ylphenyl)methyl]piperazine;piperazine?
1-[(3-chloro-2-pyrrolidin-1-ylphenyl)methyl]piperazine;piperazine has a molecular weight of 365.95 g/mol, XLogP of 1.52, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-2-pyrrolidin-1-ylphenyl)methyl]piperazine;piperazine is sourced from PubChem (CID 174835848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).