1-[(3-chlorophenyl)methyl]-4-(naphthalen-1-ylmethyl)piperazine

C22H23ClN2 — CID 7026318

IUPAC1-[(3-chlorophenyl)methyl]-4-(naphthalen-1-ylmethyl)piperazine
SMILESClc1cccc(CN2CCN(Cc3cccc4ccccc34)CC2)c1
InChIInChI=1S/C22H23ClN2/c23-21-9-3-5-18(15-21)16-24-11-13-25(14-12-24)17-20-8-4-7-19-6-1-2-10-22(19)20/h1-10,15H,11-14,16-17H2
InChIKeyHWDKFWWDICLQDO-UHFFFAOYSA-N
MW350.89 g/mol
LogP4.81
Rot. Bonds4

About 1-[(3-chlorophenyl)methyl]-4-(naphthalen-1-ylmethyl)piperazine

1-[(3-chlorophenyl)methyl]-4-(naphthalen-1-ylmethyl)piperazine (PubChem CID 7026318) has the molecular formula C22H23ClN2 and a molecular weight of 350.89 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-4-(naphthalen-1-ylmethyl)piperazine.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-4-(naphthalen-1-ylmethyl)piperazine
PubChem CID7026318
Molecular FormulaC22H23ClN2
Molecular Weight350.89 g/mol
Exact Mass350.15
IUPAC Name1-[(3-chlorophenyl)methyl]-4-(naphthalen-1-ylmethyl)piperazine
SMILESClc1cccc(CN2CCN(Cc3cccc4ccccc34)CC2)c1
InChIInChI=1S/C22H23ClN2/c23-21-9-3-5-18(15-21)16-24-11-13-25(14-12-24)17-20-8-4-7-19-6-1-2-10-22(19)20/h1-10,15H,11-14,16-17H2
InChIKeyHWDKFWWDICLQDO-UHFFFAOYSA-N
XLogP4.81
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.89
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-bis(naphthalen-1-ylmethyl)piperazine
CID 4846171
1-[(3-chlorophenyl)methyl]pyrrolidine
CID 12738005
1-[(3-chlorophenyl)methyl]naphthalene
CID 173131881
1-(naphthalen-1-ylmethyl)-4-(pyridin-3-ylmethyl)piperazine
CID 770178
1-[(3-chlorophenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine
CID 3133648
N-(3-chlorophenyl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetamide
CID 22195134
1-[(2-chloro-4-fluorophenyl)methyl]-4-[(3-chlorophenyl)methyl]piperazine
CID 22194447
1-(2-bromoethyl)-4-[(3-chlorophenyl)methyl]piperazine
CID 80675337
4-benzyl-1-[(3-chlorophenyl)methyl]piperidine
CID 785748
(E)-1-(4-chlorophenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine
CID 6867526
1-[(3-chlorophenyl)methyl]pyrrolidine;ethane;methanol
CID 145435843
3-chloro-N-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 55395088

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-4-(naphthalen-1-ylmethyl)piperazine?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-4-(naphthalen-1-ylmethyl)piperazine (CID 7026318) is 1-[(3-chlorophenyl)methyl]-4-(naphthalen-1-ylmethyl)piperazine.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-4-(naphthalen-1-ylmethyl)piperazine?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-4-(naphthalen-1-ylmethyl)piperazine is Clc1cccc(CN2CCN(Cc3cccc4ccccc34)CC2)c1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-4-(naphthalen-1-ylmethyl)piperazine?
The InChIKey is HWDKFWWDICLQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2/c23-21-9-3-5-18(15-21)16-24-11-13-25(14-12-24)17-20-8-4-7-19-6-1-2-10-22(19)20/h1-10,15H,11-14,16-17H2.
What are the key properties of 1-[(3-chlorophenyl)methyl]-4-(naphthalen-1-ylmethyl)piperazine?
1-[(3-chlorophenyl)methyl]-4-(naphthalen-1-ylmethyl)piperazine has a molecular weight of 350.89 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-4-(naphthalen-1-ylmethyl)piperazine is sourced from PubChem (CID 7026318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).