1-[(4-chlorophenyl)methyl]-3-propan-2-ylpiperazine

C14H21ClN2 — CID 64833210

IUPAC1-[(4-chlorophenyl)methyl]-3-propan-2-ylpiperazine
SMILESCC(C)C1CN(Cc2ccc(Cl)cc2)CCN1
InChIInChI=1S/C14H21ClN2/c1-11(2)14-10-17(8-7-16-14)9-12-3-5-13(15)6-4-12/h3-6,11,14,16H,7-10H2,1-2H3
InChIKeyIDSJAAZPYFOQKO-UHFFFAOYSA-N
MW252.79 g/mol
LogP2.77
Rot. Bonds3

About 1-[(4-chlorophenyl)methyl]-3-propan-2-ylpiperazine

1-[(4-chlorophenyl)methyl]-3-propan-2-ylpiperazine (PubChem CID 64833210) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-propan-2-ylpiperazine
PubChem CID64833210
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name1-[(4-chlorophenyl)methyl]-3-propan-2-ylpiperazine
SMILESCC(C)C1CN(Cc2ccc(Cl)cc2)CCN1
InChIInChI=1S/C14H21ClN2/c1-11(2)14-10-17(8-7-16-14)9-12-3-5-13(15)6-4-12/h3-6,11,14,16H,7-10H2,1-2H3
InChIKeyIDSJAAZPYFOQKO-UHFFFAOYSA-N
XLogP2.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-propan-2-yl-1-[(4-propan-2-ylphenyl)methyl]piperazine
CID 64831824
1-[(3,4-difluorophenyl)methyl]-3-propan-2-ylpiperazine
CID 64954315
4-[[(3R)-3-propan-2-ylpiperazin-1-yl]methyl]benzoic acid
CID 45073220
1-[(6-methyl-3-pyridinyl)methyl]-3-propan-2-ylpiperazine
CID 64952393
1-[(4-bromophenyl)methyl]-3-propan-2-yl-1,4-diazepane
CID 64857060
(1S)-1-[(2S)-4-benzylpiperazin-2-yl]ethanol
CID 92978714
1-[(4-bromo-2-chlorophenyl)methyl]-3-propan-2-ylpiperazine
CID 113471566
1-[(5-bromo-2-fluorophenyl)methyl]-3-propan-2-ylpiperazine
CID 64834214
(3S)-3-methyl-1-[(4-propan-2-ylphenyl)methyl]piperazine
CID 95449204
(2R)-4-[(4-chlorophenyl)methyl]piperazine-2-carboxylic acid
CID 95731948
3-butan-2-yl-1-(pyridin-4-ylmethyl)piperazine
CID 64831721
3-methoxy-6-[(3-propan-2-ylpiperazin-1-yl)methyl]pyridazine
CID 114268889

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-propan-2-ylpiperazine?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-propan-2-ylpiperazine (CID 64833210) is 1-[(4-chlorophenyl)methyl]-3-propan-2-ylpiperazine.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-propan-2-ylpiperazine?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-propan-2-ylpiperazine is CC(C)C1CN(Cc2ccc(Cl)cc2)CCN1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-propan-2-ylpiperazine?
The InChIKey is IDSJAAZPYFOQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-11(2)14-10-17(8-7-16-14)9-12-3-5-13(15)6-4-12/h3-6,11,14,16H,7-10H2,1-2H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-propan-2-ylpiperazine?
1-[(4-chlorophenyl)methyl]-3-propan-2-ylpiperazine has a molecular weight of 252.79 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-propan-2-ylpiperazine is sourced from PubChem (CID 64833210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).