1-[(4-chlorophenyl)methyl]-4-propylpiperazine

C14H21ClN2 — CID 22196915

IUPAC1-[(4-chlorophenyl)methyl]-4-propylpiperazine
SMILESCCCN1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H21ClN2/c1-2-7-16-8-10-17(11-9-16)12-13-3-5-14(15)6-4-13/h3-6H,2,7-12H2,1H3
InChIKeyBYQWCICKEFTCNF-UHFFFAOYSA-N
MW252.79 g/mol
LogP2.87
Rot. Bonds4

About 1-[(4-chlorophenyl)methyl]-4-propylpiperazine

1-[(4-chlorophenyl)methyl]-4-propylpiperazine (PubChem CID 22196915) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-4-propylpiperazine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-4-propylpiperazine
PubChem CID22196915
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name1-[(4-chlorophenyl)methyl]-4-propylpiperazine
SMILESCCCN1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H21ClN2/c1-2-7-16-8-10-17(11-9-16)12-13-3-5-14(15)6-4-13/h3-6H,2,7-12H2,1H3
InChIKeyBYQWCICKEFTCNF-UHFFFAOYSA-N
XLogP2.87
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-chlorophenyl)ethyl]-4-propylpiperazine
CID 70460835
1-[(4-chlorophenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazine
CID 877900
1-[2-(4-chlorophenyl)ethyl]-4-[(4-chlorophenyl)methyl]piperazine;dihydrochloride
CID 21275288
1-(2-bromoethyl)-4-[(4-chlorophenyl)methyl]-1,4-diazepane
CID 80667202
ethane;1-propyl-4-[(4-prop-1-ynylphenyl)methyl]piperazine
CID 156729627
1-butan-2-yl-4-[(4-chlorophenyl)methyl]piperazine
CID 2878740
N-[[4-[(4-propylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 62423801
1-butyl-3-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propyl]urea;hydrate;dihydrochloride
CID 70411215
1-(2-chloroethyl)-4-[(4-ethylphenyl)methyl]piperazine
CID 63386568
1-[(4-ethylphenyl)methyl]-4-methylpiperazine
CID 785815
1-[(4-chlorophenyl)methyl]-4-[(2,6-dichlorophenyl)methyl]piperazine
CID 22195537
2-bromo-5-[(4-propylpiperazin-1-yl)methyl]aniline
CID 115556962

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-4-propylpiperazine?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-4-propylpiperazine (CID 22196915) is 1-[(4-chlorophenyl)methyl]-4-propylpiperazine.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-4-propylpiperazine?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-4-propylpiperazine is CCCN1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-4-propylpiperazine?
The InChIKey is BYQWCICKEFTCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-2-7-16-8-10-17(11-9-16)12-13-3-5-14(15)6-4-13/h3-6H,2,7-12H2,1H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-4-propylpiperazine?
1-[(4-chlorophenyl)methyl]-4-propylpiperazine has a molecular weight of 252.79 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-4-propylpiperazine is sourced from PubChem (CID 22196915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).