2-(3-chlorophenyl)-1-[(1-cyclopropyltetrazol-5-yl)methyl]piperazine

C15H19ClN6 — CID 120770789

IUPAC2-(3-chlorophenyl)-1-[(1-cyclopropyltetrazol-5-yl)methyl]piperazine
SMILESClc1cccc(C2CNCCN2Cc2nnnn2C2CC2)c1
InChIInChI=1S/C15H19ClN6/c16-12-3-1-2-11(8-12)14-9-17-6-7-21(14)10-15-18-19-20-22(15)13-4-5-13/h1-3,8,13-14,17H,4-7,9-10H2
InChIKeyDJQVVHNRIIAHIA-UHFFFAOYSA-N
MW318.81 g/mol
LogP1.81
Rot. Bonds4

About 2-(3-chlorophenyl)-1-[(1-cyclopropyltetrazol-5-yl)methyl]piperazine

2-(3-chlorophenyl)-1-[(1-cyclopropyltetrazol-5-yl)methyl]piperazine (PubChem CID 120770789) has the molecular formula C15H19ClN6 and a molecular weight of 318.81 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-[(1-cyclopropyltetrazol-5-yl)methyl]piperazine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-[(1-cyclopropyltetrazol-5-yl)methyl]piperazine
PubChem CID120770789
Molecular FormulaC15H19ClN6
Molecular Weight318.81 g/mol
Exact Mass318.14
IUPAC Name2-(3-chlorophenyl)-1-[(1-cyclopropyltetrazol-5-yl)methyl]piperazine
SMILESClc1cccc(C2CNCCN2Cc2nnnn2C2CC2)c1
InChIInChI=1S/C15H19ClN6/c16-12-3-1-2-11(8-12)14-9-17-6-7-21(14)10-15-18-19-20-22(15)13-4-5-13/h1-3,8,13-14,17H,4-7,9-10H2
InChIKeyDJQVVHNRIIAHIA-UHFFFAOYSA-N
XLogP1.81
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-chlorophenyl)-1-[2-(1-phenyltetrazol-5-yl)ethyl]piperazine;hydrochloride
CID 120771011
2-(3-chlorophenyl)-1-(pyridin-3-ylmethyl)piperazine
CID 120780257
2-(3-chlorophenyl)-1-(1H-pyrazol-5-ylmethyl)piperazine;hydrochloride
CID 120780214
3-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]phenol;hydrochloride
CID 120780112
2-(3-chlorophenyl)-1-prop-2-enylpiperazine
CID 120770958
2-(3-chlorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]piperazine;hydrochloride
CID 120780146
2-(3-chlorophenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine
CID 120780051
2-(3-chlorophenyl)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine
CID 120780185
2-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 120770952
5-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole
CID 120780059
5-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole;hydrochloride
CID 120770738
2-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-6-methylpyridin-3-ol
CID 120780083

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-[(1-cyclopropyltetrazol-5-yl)methyl]piperazine?
The IUPAC name of 2-(3-chlorophenyl)-1-[(1-cyclopropyltetrazol-5-yl)methyl]piperazine (CID 120770789) is 2-(3-chlorophenyl)-1-[(1-cyclopropyltetrazol-5-yl)methyl]piperazine.
What is the SMILES notation for 2-(3-chlorophenyl)-1-[(1-cyclopropyltetrazol-5-yl)methyl]piperazine?
The canonical SMILES for 2-(3-chlorophenyl)-1-[(1-cyclopropyltetrazol-5-yl)methyl]piperazine is Clc1cccc(C2CNCCN2Cc2nnnn2C2CC2)c1.
What is the InChIKey of 2-(3-chlorophenyl)-1-[(1-cyclopropyltetrazol-5-yl)methyl]piperazine?
The InChIKey is DJQVVHNRIIAHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN6/c16-12-3-1-2-11(8-12)14-9-17-6-7-21(14)10-15-18-19-20-22(15)13-4-5-13/h1-3,8,13-14,17H,4-7,9-10H2.
What are the key properties of 2-(3-chlorophenyl)-1-[(1-cyclopropyltetrazol-5-yl)methyl]piperazine?
2-(3-chlorophenyl)-1-[(1-cyclopropyltetrazol-5-yl)methyl]piperazine has a molecular weight of 318.81 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-[(1-cyclopropyltetrazol-5-yl)methyl]piperazine is sourced from PubChem (CID 120770789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).