1-[(R)-(4-chlorophenyl)-[1-(3-methylbutyl)tetrazol-5-yl]methyl]-4-methylpiperazine

C18H27ClN6 — CID 1448688

IUPAC1-[(R)-(4-chlorophenyl)-[1-(3-methylbutyl)tetrazol-5-yl]methyl]-4-methylpiperazine
SMILESCC(C)CCn1nnnc1[C@@H](c1ccc(Cl)cc1)N1CCN(C)CC1
InChIInChI=1S/C18H27ClN6/c1-14(2)8-9-25-18(20-21-22-25)17(15-4-6-16(19)7-5-15)24-12-10-23(3)11-13-24/h4-7,14,17H,8-13H2,1-3H3/t17-/m1/s1
InChIKeyJRXYNZLQRFULFO-QGZVFWFLSA-N
MW362.91 g/mol
LogP2.71
Rot. Bonds6

About 1-[(R)-(4-chlorophenyl)-[1-(3-methylbutyl)tetrazol-5-yl]methyl]-4-methylpiperazine

1-[(R)-(4-chlorophenyl)-[1-(3-methylbutyl)tetrazol-5-yl]methyl]-4-methylpiperazine (PubChem CID 1448688) has the molecular formula C18H27ClN6 and a molecular weight of 362.91 g/mol. Its IUPAC name is 1-[(R)-(4-chlorophenyl)-[1-(3-methylbutyl)tetrazol-5-yl]methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(R)-(4-chlorophenyl)-[1-(3-methylbutyl)tetrazol-5-yl]methyl]-4-methylpiperazine
PubChem CID1448688
Molecular FormulaC18H27ClN6
Molecular Weight362.91 g/mol
Exact Mass362.20
IUPAC Name1-[(R)-(4-chlorophenyl)-[1-(3-methylbutyl)tetrazol-5-yl]methyl]-4-methylpiperazine
SMILESCC(C)CCn1nnnc1[C@@H](c1ccc(Cl)cc1)N1CCN(C)CC1
InChIInChI=1S/C18H27ClN6/c1-14(2)8-9-25-18(20-21-22-25)17(15-4-6-16(19)7-5-15)24-12-10-23(3)11-13-24/h4-7,14,17H,8-13H2,1-3H3/t17-/m1/s1
InChIKeyJRXYNZLQRFULFO-QGZVFWFLSA-N
XLogP2.71
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.91
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(S)-(4-chlorophenyl)-[1-(3-methylbutyl)tetrazol-5-yl]methyl]-4-methylpiperazine
CID 1448690
1-[(4-chlorophenyl)-[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide
CID 3210366
1-[(4-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-methylpiperazine;hydrochloride
CID 171668058
1-[(S)-(2-fluorophenyl)-[1-(3-methylbutyl)tetrazol-5-yl]methyl]-4-methylpiperazine
CID 855592
1-[(1-tert-butyltetrazol-5-yl)-(4-chlorophenyl)methyl]-4-methylpiperazine
CID 3201741
1-[(S)-(4-chlorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-4-methylpiperazine
CID 1433955
1-[(S)-(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-ethylpiperazine
CID 51685851
1-[[1-(3-methylbutyl)tetrazol-5-yl]-(4-methylphenyl)methyl]-4-prop-2-enylpiperazine;hydrochloride
CID 171668540
1-[(R)-[1-(3-methylbutyl)tetrazol-5-yl]-phenylmethyl]-4-prop-2-enylpiperazine
CID 1448652
4-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]phenol
CID 7383157
4-[[4-(2-fluorophenyl)piperazin-1-yl]-[1-(3-methylbutyl)tetrazol-5-yl]methyl]-N,N-dimethylaniline
CID 3210367
1-[(R)-(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-prop-2-enylpiperazine
CID 7391596

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(4-chlorophenyl)-[1-(3-methylbutyl)tetrazol-5-yl]methyl]-4-methylpiperazine?
The IUPAC name of 1-[(R)-(4-chlorophenyl)-[1-(3-methylbutyl)tetrazol-5-yl]methyl]-4-methylpiperazine (CID 1448688) is 1-[(R)-(4-chlorophenyl)-[1-(3-methylbutyl)tetrazol-5-yl]methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[(R)-(4-chlorophenyl)-[1-(3-methylbutyl)tetrazol-5-yl]methyl]-4-methylpiperazine?
The canonical SMILES for 1-[(R)-(4-chlorophenyl)-[1-(3-methylbutyl)tetrazol-5-yl]methyl]-4-methylpiperazine is CC(C)CCn1nnnc1[C@@H](c1ccc(Cl)cc1)N1CCN(C)CC1.
What is the InChIKey of 1-[(R)-(4-chlorophenyl)-[1-(3-methylbutyl)tetrazol-5-yl]methyl]-4-methylpiperazine?
The InChIKey is JRXYNZLQRFULFO-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H27ClN6/c1-14(2)8-9-25-18(20-21-22-25)17(15-4-6-16(19)7-5-15)24-12-10-23(3)11-13-24/h4-7,14,17H,8-13H2,1-3H3/t17-/m1/s1.
What are the key properties of 1-[(R)-(4-chlorophenyl)-[1-(3-methylbutyl)tetrazol-5-yl]methyl]-4-methylpiperazine?
1-[(R)-(4-chlorophenyl)-[1-(3-methylbutyl)tetrazol-5-yl]methyl]-4-methylpiperazine has a molecular weight of 362.91 g/mol, XLogP of 2.71, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-(4-chlorophenyl)-[1-(3-methylbutyl)tetrazol-5-yl]methyl]-4-methylpiperazine is sourced from PubChem (CID 1448688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).