1-(2-chloroethyl)-4-(2-phenylethyl)piperazine

C14H21ClN2 — CID 10264250

IUPAC1-(2-chloroethyl)-4-(2-phenylethyl)piperazine
SMILESClCCN1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C14H21ClN2/c15-7-9-17-12-10-16(11-13-17)8-6-14-4-2-1-3-5-14/h1-5H,6-13H2
InChIKeyFRKYHGROQQFCHQ-UHFFFAOYSA-N
MW252.79 g/mol
LogP2.09
Rot. Bonds5

About 1-(2-chloroethyl)-4-(2-phenylethyl)piperazine

1-(2-chloroethyl)-4-(2-phenylethyl)piperazine (PubChem CID 10264250) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 1-(2-chloroethyl)-4-(2-phenylethyl)piperazine.

Molecular Properties

Compound Name1-(2-chloroethyl)-4-(2-phenylethyl)piperazine
PubChem CID10264250
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name1-(2-chloroethyl)-4-(2-phenylethyl)piperazine
SMILESClCCN1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C14H21ClN2/c15-7-9-17-12-10-16(11-13-17)8-6-14-4-2-1-3-5-14/h1-5H,6-13H2
InChIKeyFRKYHGROQQFCHQ-UHFFFAOYSA-N
XLogP2.09
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chloroprop-2-enyl)-4-(2-phenylethyl)piperazine
CID 47018464
1-tert-butyl-4-(2-phenylethyl)piperazine
CID 21132134
1-(4-benzylphenyl)-4-(2-chloroethyl)piperazine
CID 4741784
1-[4-(2-chloroethyl)-1,4-diazepan-1-yl]-3-phenylpropan-1-one
CID 63393576
bis(1-(2-phenylethyl)piperazine);dihydrochloride
CID 102602644
methane;4-(2-phenylethyl)morpholine
CID 143698819
4-methylidene-1-(2-phenylethyl)piperidine
CID 58902713
4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]benzamide
CID 34947002
1-(2-phenylethyl)-4-(pyridin-3-ylmethyl)piperazine;trihydrobromide
CID 68939346
hypochlorous acid;1-(2-phenylethyl)piperidin-4-amine
CID 159010718
1-(azetidin-3-yl)-4-(2-phenylethyl)piperazine
CID 66202494
1,4-bis(2-phenylethyl)piperidine
CID 86059939

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroethyl)-4-(2-phenylethyl)piperazine?
The IUPAC name of 1-(2-chloroethyl)-4-(2-phenylethyl)piperazine (CID 10264250) is 1-(2-chloroethyl)-4-(2-phenylethyl)piperazine.
What is the SMILES notation for 1-(2-chloroethyl)-4-(2-phenylethyl)piperazine?
The canonical SMILES for 1-(2-chloroethyl)-4-(2-phenylethyl)piperazine is ClCCN1CCN(CCc2ccccc2)CC1.
What is the InChIKey of 1-(2-chloroethyl)-4-(2-phenylethyl)piperazine?
The InChIKey is FRKYHGROQQFCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c15-7-9-17-12-10-16(11-13-17)8-6-14-4-2-1-3-5-14/h1-5H,6-13H2.
What are the key properties of 1-(2-chloroethyl)-4-(2-phenylethyl)piperazine?
1-(2-chloroethyl)-4-(2-phenylethyl)piperazine has a molecular weight of 252.79 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroethyl)-4-(2-phenylethyl)piperazine is sourced from PubChem (CID 10264250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).