1-[3-chloro-2-(chloromethyl)phenyl]-4-(cyclopropylmethyl)piperazine

C15H20Cl2N2 — CID 61445626

IUPAC1-[3-chloro-2-(chloromethyl)phenyl]-4-(cyclopropylmethyl)piperazine
SMILESClCc1c(Cl)cccc1N1CCN(CC2CC2)CC1
InChIInChI=1S/C15H20Cl2N2/c16-10-13-14(17)2-1-3-15(13)19-8-6-18(7-9-19)11-12-4-5-12/h1-3,12H,4-11H2
InChIKeyGCEAFKBMJIKELZ-UHFFFAOYSA-N
MW299.25 g/mol
LogP3.61
Rot. Bonds4

About 1-[3-chloro-2-(chloromethyl)phenyl]-4-(cyclopropylmethyl)piperazine

1-[3-chloro-2-(chloromethyl)phenyl]-4-(cyclopropylmethyl)piperazine (PubChem CID 61445626) has the molecular formula C15H20Cl2N2 and a molecular weight of 299.25 g/mol. Its IUPAC name is 1-[3-chloro-2-(chloromethyl)phenyl]-4-(cyclopropylmethyl)piperazine.

Molecular Properties

Compound Name1-[3-chloro-2-(chloromethyl)phenyl]-4-(cyclopropylmethyl)piperazine
PubChem CID61445626
Molecular FormulaC15H20Cl2N2
Molecular Weight299.25 g/mol
Exact Mass298.10
IUPAC Name1-[3-chloro-2-(chloromethyl)phenyl]-4-(cyclopropylmethyl)piperazine
SMILESClCc1c(Cl)cccc1N1CCN(CC2CC2)CC1
InChIInChI=1S/C15H20Cl2N2/c16-10-13-14(17)2-1-3-15(13)19-8-6-18(7-9-19)11-12-4-5-12/h1-3,12H,4-11H2
InChIKeyGCEAFKBMJIKELZ-UHFFFAOYSA-N
XLogP3.61
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 53.61
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

4-[3-chloro-2-(chloromethyl)phenyl]morpholine
CID 28946203
1-[3-chloro-2-(chloromethyl)phenyl]-3-methylpiperidine
CID 43121145
2-[3-chloro-2-(chloromethyl)phenyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 43620561
1-[2-(bromomethyl)phenyl]-4-(cyclopropylmethyl)piperazine
CID 107081427
1-(cyclopropylmethyl)-4-(2-methoxyphenyl)piperazine
CID 13035986
1-(1-benzofuran-7-yl)-4-(cyclopropylmethyl)piperazine
CID 14960342
tert-butyl N-[4-[[4-(2,3-dichlorophenyl)piperazin-1-yl]methyl]cyclohexyl]carbamate
CID 72736382
1-[3-chloro-2-(chloromethyl)phenyl]-3-ethoxypiperidine
CID 54989891
(1R)-1-[3-chloro-4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]ethanol
CID 63371203
1-[2-(4-tert-butylcyclohexyl)phenyl]-4-(cyclopropylmethyl)piperazine
CID 23142749
2-[4-(cyclohexylmethyl)piperazin-1-yl]aniline
CID 28800779
1-[2-(bromomethyl)-3-chlorophenyl]-4-propylpiperazine
CID 107079569

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-2-(chloromethyl)phenyl]-4-(cyclopropylmethyl)piperazine?
The IUPAC name of 1-[3-chloro-2-(chloromethyl)phenyl]-4-(cyclopropylmethyl)piperazine (CID 61445626) is 1-[3-chloro-2-(chloromethyl)phenyl]-4-(cyclopropylmethyl)piperazine.
What is the SMILES notation for 1-[3-chloro-2-(chloromethyl)phenyl]-4-(cyclopropylmethyl)piperazine?
The canonical SMILES for 1-[3-chloro-2-(chloromethyl)phenyl]-4-(cyclopropylmethyl)piperazine is ClCc1c(Cl)cccc1N1CCN(CC2CC2)CC1.
What is the InChIKey of 1-[3-chloro-2-(chloromethyl)phenyl]-4-(cyclopropylmethyl)piperazine?
The InChIKey is GCEAFKBMJIKELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2/c16-10-13-14(17)2-1-3-15(13)19-8-6-18(7-9-19)11-12-4-5-12/h1-3,12H,4-11H2.
What are the key properties of 1-[3-chloro-2-(chloromethyl)phenyl]-4-(cyclopropylmethyl)piperazine?
1-[3-chloro-2-(chloromethyl)phenyl]-4-(cyclopropylmethyl)piperazine has a molecular weight of 299.25 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-2-(chloromethyl)phenyl]-4-(cyclopropylmethyl)piperazine is sourced from PubChem (CID 61445626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).