1-[(3-chlorophenyl)-naphthalen-2-ylmethyl]piperazine

C21H21ClN2 — CID 4601927

IUPAC1-[(3-chlorophenyl)-naphthalen-2-ylmethyl]piperazine
SMILESClc1cccc(C(c2ccc3ccccc3c2)N2CCNCC2)c1
InChIInChI=1S/C21H21ClN2/c22-20-7-3-6-18(15-20)21(24-12-10-23-11-13-24)19-9-8-16-4-1-2-5-17(16)14-19/h1-9,14-15,21,23H,10-13H2
InChIKeyPCZBNFGIPHTUNH-UHFFFAOYSA-N
MW336.87 g/mol
LogP4.49
Rot. Bonds3

About 1-[(3-chlorophenyl)-naphthalen-2-ylmethyl]piperazine

1-[(3-chlorophenyl)-naphthalen-2-ylmethyl]piperazine (PubChem CID 4601927) has the molecular formula C21H21ClN2 and a molecular weight of 336.87 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)-naphthalen-2-ylmethyl]piperazine.

Molecular Properties

Compound Name1-[(3-chlorophenyl)-naphthalen-2-ylmethyl]piperazine
PubChem CID4601927
Molecular FormulaC21H21ClN2
Molecular Weight336.87 g/mol
Exact Mass336.14
IUPAC Name1-[(3-chlorophenyl)-naphthalen-2-ylmethyl]piperazine
SMILESClc1cccc(C(c2ccc3ccccc3c2)N2CCNCC2)c1
InChIInChI=1S/C21H21ClN2/c22-20-7-3-6-18(15-20)21(24-12-10-23-11-13-24)19-9-8-16-4-1-2-5-17(16)14-19/h1-9,14-15,21,23H,10-13H2
InChIKeyPCZBNFGIPHTUNH-UHFFFAOYSA-N
XLogP4.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.87
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[naphthalen-2-yl-(4-phenylphenyl)methyl]piperazine
CID 5211839
6-[(3-chlorophenyl)-(1,4-diazepan-1-yl)methyl]isoquinoline
CID 5238042
1-[(3-chlorophenyl)-(4-phenylphenyl)methyl]-1,4-diazepane
CID 3829385
1-[(4-methylsulfanylphenyl)-naphthalen-2-ylmethyl]piperazine
CID 3348475
2-[(3-chlorophenyl)-piperazin-1-ylmethyl]-1,3-benzothiazole
CID 3762968
1-[(3-chlorophenyl)-pyridin-3-ylmethyl]piperazine
CID 3810529
1-[(R)-(4-chlorophenyl)-phenylmethyl]piperazine;dihydrochloride
CID 24745687
1-[(3-chlorophenyl)-(3-fluorophenyl)methyl]-1,4-diazepane
CID 4296958
1-[(1R)-1-naphthalen-2-ylethyl]piperazine
CID 93464443
1-[(3-chlorophenyl)-(3,5-dimethylphenyl)methyl]-1,4-diazepane
CID 4615569
1-[(3-chlorophenyl)-(3,4-diethoxyphenyl)methyl]piperazine
CID 5238145
(2R)-2-naphthalen-2-yl-2-piperazin-1-ylethanol
CID 171183408

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)-naphthalen-2-ylmethyl]piperazine?
The IUPAC name of 1-[(3-chlorophenyl)-naphthalen-2-ylmethyl]piperazine (CID 4601927) is 1-[(3-chlorophenyl)-naphthalen-2-ylmethyl]piperazine.
What is the SMILES notation for 1-[(3-chlorophenyl)-naphthalen-2-ylmethyl]piperazine?
The canonical SMILES for 1-[(3-chlorophenyl)-naphthalen-2-ylmethyl]piperazine is Clc1cccc(C(c2ccc3ccccc3c2)N2CCNCC2)c1.
What is the InChIKey of 1-[(3-chlorophenyl)-naphthalen-2-ylmethyl]piperazine?
The InChIKey is PCZBNFGIPHTUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2/c22-20-7-3-6-18(15-20)21(24-12-10-23-11-13-24)19-9-8-16-4-1-2-5-17(16)14-19/h1-9,14-15,21,23H,10-13H2.
What are the key properties of 1-[(3-chlorophenyl)-naphthalen-2-ylmethyl]piperazine?
1-[(3-chlorophenyl)-naphthalen-2-ylmethyl]piperazine has a molecular weight of 336.87 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)-naphthalen-2-ylmethyl]piperazine is sourced from PubChem (CID 4601927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).