1-(3-chlorophenyl)-4-[3-methyl-1-(1-propan-2-yltetrazol-5-yl)butyl]piperazine

C19H29ClN6 — CID 651221

IUPAC1-(3-chlorophenyl)-4-[3-methyl-1-(1-propan-2-yltetrazol-5-yl)butyl]piperazine
SMILESCC(C)CC(c1nnnn1C(C)C)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H29ClN6/c1-14(2)12-18(19-21-22-23-26(19)15(3)4)25-10-8-24(9-11-25)17-7-5-6-16(20)13-17/h5-7,13-15,18H,8-12H2,1-4H3
InChIKeyTZHKRJCKNNDDAQ-UHFFFAOYSA-N
MW376.94 g/mol
LogP3.82
Rot. Bonds6

About 1-(3-chlorophenyl)-4-[3-methyl-1-(1-propan-2-yltetrazol-5-yl)butyl]piperazine

1-(3-chlorophenyl)-4-[3-methyl-1-(1-propan-2-yltetrazol-5-yl)butyl]piperazine (PubChem CID 651221) has the molecular formula C19H29ClN6 and a molecular weight of 376.94 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-[3-methyl-1-(1-propan-2-yltetrazol-5-yl)butyl]piperazine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-[3-methyl-1-(1-propan-2-yltetrazol-5-yl)butyl]piperazine
PubChem CID651221
Molecular FormulaC19H29ClN6
Molecular Weight376.94 g/mol
Exact Mass376.21
IUPAC Name1-(3-chlorophenyl)-4-[3-methyl-1-(1-propan-2-yltetrazol-5-yl)butyl]piperazine
SMILESCC(C)CC(c1nnnn1C(C)C)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H29ClN6/c1-14(2)12-18(19-21-22-23-26(19)15(3)4)25-10-8-24(9-11-25)17-7-5-6-16(20)13-17/h5-7,13-15,18H,8-12H2,1-4H3
InChIKeyTZHKRJCKNNDDAQ-UHFFFAOYSA-N
XLogP3.82
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.94
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-[3-methyl-1-(1-propan-2-yltetrazol-5-yl)butyl]piperazine?
The IUPAC name of 1-(3-chlorophenyl)-4-[3-methyl-1-(1-propan-2-yltetrazol-5-yl)butyl]piperazine (CID 651221) is 1-(3-chlorophenyl)-4-[3-methyl-1-(1-propan-2-yltetrazol-5-yl)butyl]piperazine.
What is the SMILES notation for 1-(3-chlorophenyl)-4-[3-methyl-1-(1-propan-2-yltetrazol-5-yl)butyl]piperazine?
The canonical SMILES for 1-(3-chlorophenyl)-4-[3-methyl-1-(1-propan-2-yltetrazol-5-yl)butyl]piperazine is CC(C)CC(c1nnnn1C(C)C)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-(3-chlorophenyl)-4-[3-methyl-1-(1-propan-2-yltetrazol-5-yl)butyl]piperazine?
The InChIKey is TZHKRJCKNNDDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29ClN6/c1-14(2)12-18(19-21-22-23-26(19)15(3)4)25-10-8-24(9-11-25)17-7-5-6-16(20)13-17/h5-7,13-15,18H,8-12H2,1-4H3.
What are the key properties of 1-(3-chlorophenyl)-4-[3-methyl-1-(1-propan-2-yltetrazol-5-yl)butyl]piperazine?
1-(3-chlorophenyl)-4-[3-methyl-1-(1-propan-2-yltetrazol-5-yl)butyl]piperazine has a molecular weight of 376.94 g/mol, XLogP of 3.82, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-4-[3-methyl-1-(1-propan-2-yltetrazol-5-yl)butyl]piperazine is sourced from PubChem (CID 651221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).