1-[(1R)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]-4-phenylpiperazine

C20H32N6 — CID 1444307

IUPAC1-[(1R)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]-4-phenylpiperazine
SMILESCCC[C@H](c1nnnn1C(C)(C)CC)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H32N6/c1-5-10-18(19-21-22-23-26(19)20(3,4)6-2)25-15-13-24(14-16-25)17-11-8-7-9-12-17/h7-9,11-12,18H,5-6,10,13-16H2,1-4H3/t18-/m1/s1
InChIKeyDSKWXEBBEIMQIY-GOSISDBHSA-N
MW356.52 g/mol
LogP3.48
Rot. Bonds7

About 1-[(1R)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]-4-phenylpiperazine

1-[(1R)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]-4-phenylpiperazine (PubChem CID 1444307) has the molecular formula C20H32N6 and a molecular weight of 356.52 g/mol. Its IUPAC name is 1-[(1R)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[(1R)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]-4-phenylpiperazine
PubChem CID1444307
Molecular FormulaC20H32N6
Molecular Weight356.52 g/mol
Exact Mass356.27
IUPAC Name1-[(1R)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]-4-phenylpiperazine
SMILESCCC[C@H](c1nnnn1C(C)(C)CC)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H32N6/c1-5-10-18(19-21-22-23-26(19)20(3,4)6-2)25-15-13-24(14-16-25)17-11-8-7-9-12-17/h7-9,11-12,18H,5-6,10,13-16H2,1-4H3/t18-/m1/s1
InChIKeyDSKWXEBBEIMQIY-GOSISDBHSA-N
XLogP3.48
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.52
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-4-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazine
CID 3209053
1-[(1S)-1-(1-tert-butyltetrazol-5-yl)butyl]-4-(4-fluorophenyl)piperazine
CID 1443711
1-benzyl-4-[(1S)-1-(1-tert-butyltetrazol-5-yl)butyl]piperazine
CID 1443719
furan-2-yl-[4-[(1S)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazin-1-yl]methanone
CID 1444298
1-benzyl-4-[(1S)-3-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazine
CID 1444378
1-[(R)-(1-tert-butyltetrazol-5-yl)-phenylmethyl]-4-phenylpiperazine
CID 1443802
1-(4-methoxyphenyl)-4-[(2-methoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperazine
CID 3209154
6-ethyl-3-[(S)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-phenylpiperazin-1-yl)methyl]-1H-quinolin-2-one
CID 1157824
1-(3-methoxyphenyl)-4-[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]piperazine
CID 3209061
1-ethyl-4-[(S)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-phenylmethyl]piperazine
CID 1444406
1-cyclopentyl-4-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]pentyl]piperazine
CID 3209073
1-[1-(1-cyclohexyltetrazol-5-yl)propyl]-4-phenylpiperazine;hydrochloride
CID 175654215

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]-4-phenylpiperazine?
The IUPAC name of 1-[(1R)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]-4-phenylpiperazine (CID 1444307) is 1-[(1R)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[(1R)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]-4-phenylpiperazine?
The canonical SMILES for 1-[(1R)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]-4-phenylpiperazine is CCC[C@H](c1nnnn1C(C)(C)CC)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-[(1R)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]-4-phenylpiperazine?
The InChIKey is DSKWXEBBEIMQIY-GOSISDBHSA-N. The full InChI is InChI=1S/C20H32N6/c1-5-10-18(19-21-22-23-26(19)20(3,4)6-2)25-15-13-24(14-16-25)17-11-8-7-9-12-17/h7-9,11-12,18H,5-6,10,13-16H2,1-4H3/t18-/m1/s1.
What are the key properties of 1-[(1R)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]-4-phenylpiperazine?
1-[(1R)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]-4-phenylpiperazine has a molecular weight of 356.52 g/mol, XLogP of 3.48, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]-4-phenylpiperazine is sourced from PubChem (CID 1444307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).