1-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-(2,3-dimethylphenyl)piperazine

C25H32N6 — CID 3208714

IUPAC1-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-(2,3-dimethylphenyl)piperazine
SMILESCc1cccc(N2CCN(C(c3ccccc3)c3nnnn3C3CCCC3)CC2)c1C
InChIInChI=1S/C25H32N6/c1-19-9-8-14-23(20(19)2)29-15-17-30(18-16-29)24(21-10-4-3-5-11-21)25-26-27-28-31(25)22-12-6-7-13-22/h3-5,8-11,14,22,24H,6-7,12-13,15-18H2,1-2H3
InChIKeyZTBPOGIRWZMMPV-UHFFFAOYSA-N
MW416.57 g/mol
LogP4.32
Rot. Bonds5

About 1-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-(2,3-dimethylphenyl)piperazine

1-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-(2,3-dimethylphenyl)piperazine (PubChem CID 3208714) has the molecular formula C25H32N6 and a molecular weight of 416.57 g/mol. Its IUPAC name is 1-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-(2,3-dimethylphenyl)piperazine.

Molecular Properties

Compound Name1-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-(2,3-dimethylphenyl)piperazine
PubChem CID3208714
Molecular FormulaC25H32N6
Molecular Weight416.57 g/mol
Exact Mass416.27
IUPAC Name1-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-(2,3-dimethylphenyl)piperazine
SMILESCc1cccc(N2CCN(C(c3ccccc3)c3nnnn3C3CCCC3)CC2)c1C
InChIInChI=1S/C25H32N6/c1-19-9-8-14-23(20(19)2)29-15-17-30(18-16-29)24(21-10-4-3-5-11-21)25-26-27-28-31(25)22-12-6-7-13-22/h3-5,8-11,14,22,24H,6-7,12-13,15-18H2,1-2H3
InChIKeyZTBPOGIRWZMMPV-UHFFFAOYSA-N
XLogP4.32
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(R)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-(2,5-dimethylphenyl)piperazine
CID 1443349
1-[(S)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-phenylpiperazine
CID 1443350
1-[(S)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-methylpiperazine
CID 858129
1-[(S)-(1-cyclopentyltetrazol-5-yl)-(4-methylphenyl)methyl]-4-(2-methoxyphenyl)piperazine
CID 1443400
1-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidine
CID 3201581
1-[(R)-(1-cyclohexyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidine
CID 858112
3-[(1-cyclohexyltetrazol-5-yl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-5,7-dimethyl-1H-quinolin-2-one
CID 3183053
3-[(1-cyclohexyltetrazol-5-yl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-7-methoxy-1H-quinolin-2-one
CID 23997250
2-[4-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]piperazin-1-yl]-1,3-benzothiazole
CID 3201753
1-(2,3-dimethylphenyl)-4-[(R)-(4-methylphenyl)-(1-propan-2-yltetrazol-5-yl)methyl]piperazine
CID 7388589
3-[(1-cyclopentyltetrazol-5-yl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-6-ethoxy-1H-quinolin-2-one
CID 3183386
1-(2,3-dimethylphenyl)-4-[[1-(furan-2-ylmethyl)tetrazol-5-yl]-phenylmethyl]piperazine
CID 3210069

Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-(2,3-dimethylphenyl)piperazine?
The IUPAC name of 1-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-(2,3-dimethylphenyl)piperazine (CID 3208714) is 1-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-(2,3-dimethylphenyl)piperazine.
What is the SMILES notation for 1-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-(2,3-dimethylphenyl)piperazine?
The canonical SMILES for 1-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-(2,3-dimethylphenyl)piperazine is Cc1cccc(N2CCN(C(c3ccccc3)c3nnnn3C3CCCC3)CC2)c1C.
What is the InChIKey of 1-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-(2,3-dimethylphenyl)piperazine?
The InChIKey is ZTBPOGIRWZMMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6/c1-19-9-8-14-23(20(19)2)29-15-17-30(18-16-29)24(21-10-4-3-5-11-21)25-26-27-28-31(25)22-12-6-7-13-22/h3-5,8-11,14,22,24H,6-7,12-13,15-18H2,1-2H3.
What are the key properties of 1-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-(2,3-dimethylphenyl)piperazine?
1-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-(2,3-dimethylphenyl)piperazine has a molecular weight of 416.57 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-(2,3-dimethylphenyl)piperazine is sourced from PubChem (CID 3208714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).