1-[1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-4-(3-chlorophenyl)piperazine

C19H29ClN6 — CID 646653

IUPAC1-[1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-4-(3-chlorophenyl)piperazine
SMILESCC(C)C(c1nnnn1C(C)(C)C)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H29ClN6/c1-14(2)17(18-21-22-23-26(18)19(3,4)5)25-11-9-24(10-12-25)16-8-6-7-15(20)13-16/h6-8,13-14,17H,9-12H2,1-5H3
InChIKeyAIMFEWLIPNKZOB-UHFFFAOYSA-N
MW376.94 g/mol
LogP3.60
Rot. Bonds4

About 1-[1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-4-(3-chlorophenyl)piperazine

1-[1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-4-(3-chlorophenyl)piperazine (PubChem CID 646653) has the molecular formula C19H29ClN6 and a molecular weight of 376.94 g/mol. Its IUPAC name is 1-[1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-4-(3-chlorophenyl)piperazine.

Molecular Properties

Compound Name1-[1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-4-(3-chlorophenyl)piperazine
PubChem CID646653
Molecular FormulaC19H29ClN6
Molecular Weight376.94 g/mol
Exact Mass376.21
IUPAC Name1-[1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-4-(3-chlorophenyl)piperazine
SMILESCC(C)C(c1nnnn1C(C)(C)C)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H29ClN6/c1-14(2)17(18-21-22-23-26(18)19(3,4)5)25-11-9-24(10-12-25)16-8-6-7-15(20)13-16/h6-8,13-14,17H,9-12H2,1-5H3
InChIKeyAIMFEWLIPNKZOB-UHFFFAOYSA-N
XLogP3.60
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.94
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[1-(3-Methylbutyl)tetrazol-5-yl]methyl]-4-phenylpiperazine
CID 1448648
1-(4-Fluorophenyl)-4-[[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperazine
CID 1448649
1-[1-(4-Chlorophenyl)-1H-tetraazol-5-yl]-N,N-dimethylcyclohexanamine
CID 581177
1-[1-(3,4-Dichloro-phenyl)-1H-tetrazol-5-ylmethyl]-piperidine
CID 3165816
1-[1-(4-Chloro-phenyl)-1H-tetrazol-5-ylmethyl]-4-methyl-piperidine
CID 3167930
1-(3-Chloro-phenyl)-4-{3-methyl-1-[1-(tetrahydro-furan-2-ylmethyl)-1H-tetrazol-5-yl]-butyl}-piperazine
CID 644852
1-[1-(1-Cyclopentyl-5-tetrazolyl)-2-methylpropyl]-4-(2-fluorophenyl)piperazine
CID 647539
1-[1-(1-Cyclopentyl-1H-tetrazol-5-yl)-propyl]-4-phenyl-piperazine
CID 647993
1-(5-Chloro-2-methyl-phenyl)-4-(1-cyclohexyl-1H-tetrazol-5-ylmethyl)-piperazine
CID 649196
4-[(1-tert-butyltetrazol-5-yl)-(4-methylpiperidin-1-yl)methyl]-N,N-dimethylaniline
CID 650290
1-(3-Chloro-phenyl)-4-[1-(1-isopropyl-1H-tetrazol-5-yl)-3-methyl-butyl]-piperazine
CID 651221
1-[1-(1-tert-Butyl-1H-tetrazol-5-yl)-propyl]-4-(5-chloro-2-methyl-phenyl)-piperazine
CID 655300

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-4-(3-chlorophenyl)piperazine?
The IUPAC name of 1-[1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-4-(3-chlorophenyl)piperazine (CID 646653) is 1-[1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-4-(3-chlorophenyl)piperazine.
What is the SMILES notation for 1-[1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-4-(3-chlorophenyl)piperazine?
The canonical SMILES for 1-[1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-4-(3-chlorophenyl)piperazine is CC(C)C(c1nnnn1C(C)(C)C)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-[1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-4-(3-chlorophenyl)piperazine?
The InChIKey is AIMFEWLIPNKZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29ClN6/c1-14(2)17(18-21-22-23-26(18)19(3,4)5)25-11-9-24(10-12-25)16-8-6-7-15(20)13-16/h6-8,13-14,17H,9-12H2,1-5H3.
What are the key properties of 1-[1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-4-(3-chlorophenyl)piperazine?
1-[1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-4-(3-chlorophenyl)piperazine has a molecular weight of 376.94 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-4-(3-chlorophenyl)piperazine is sourced from PubChem (CID 646653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).