1-benzyl-4-[(R)-(1-cyclopentyltetrazol-5-yl)-(2-methoxyphenyl)methyl]piperazine

C25H32N6O — CID 51625541

IUPAC1-benzyl-4-[(R)-(1-cyclopentyltetrazol-5-yl)-(2-methoxyphenyl)methyl]piperazine
SMILESCOc1ccccc1[C@H](c1nnnn1C1CCCC1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C25H32N6O/c1-32-23-14-8-7-13-22(23)24(25-26-27-28-31(25)21-11-5-6-12-21)30-17-15-29(16-18-30)19-20-9-3-2-4-10-20/h2-4,7-10,13-14,21,24H,5-6,11-12,15-19H2,1H3/t24-/m1/s1
InChIKeyBRKSKUNUZAAVRG-XMMPIXPASA-N
MW432.57 g/mol
LogP3.70
Rot. Bonds7

About 1-benzyl-4-[(R)-(1-cyclopentyltetrazol-5-yl)-(2-methoxyphenyl)methyl]piperazine

1-benzyl-4-[(R)-(1-cyclopentyltetrazol-5-yl)-(2-methoxyphenyl)methyl]piperazine (PubChem CID 51625541) has the molecular formula C25H32N6O and a molecular weight of 432.57 g/mol. Its IUPAC name is 1-benzyl-4-[(R)-(1-cyclopentyltetrazol-5-yl)-(2-methoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-benzyl-4-[(R)-(1-cyclopentyltetrazol-5-yl)-(2-methoxyphenyl)methyl]piperazine
PubChem CID51625541
Molecular FormulaC25H32N6O
Molecular Weight432.57 g/mol
Exact Mass432.26
IUPAC Name1-benzyl-4-[(R)-(1-cyclopentyltetrazol-5-yl)-(2-methoxyphenyl)methyl]piperazine
SMILESCOc1ccccc1[C@H](c1nnnn1C1CCCC1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C25H32N6O/c1-32-23-14-8-7-13-22(23)24(25-26-27-28-31(25)21-11-5-6-12-21)30-17-15-29(16-18-30)19-20-9-3-2-4-10-20/h2-4,7-10,13-14,21,24H,5-6,11-12,15-19H2,1H3/t24-/m1/s1
InChIKeyBRKSKUNUZAAVRG-XMMPIXPASA-N
XLogP3.70
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(1-cyclohexyltetrazol-5-yl)-(2-methoxyphenyl)methyl]-4-ethylpiperazine;hydrochloride
CID 6603625
1-benzyl-4-[(1-cyclopentyltetrazol-5-yl)-(2-fluorophenyl)methyl]piperazine
CID 3208818
1-cyclohexyl-5-[(S)-(2-methoxyphenyl)-pyrrolidin-1-ylmethyl]tetrazole
CID 7436524
1-cyclohexyl-5-[(R)-(2-methoxyphenyl)-pyrrolidin-1-ylmethyl]tetrazole
CID 7436527
1-[(S)-(1-cyclopentyltetrazol-5-yl)-(2-methoxyphenyl)methyl]-4-phenylpiperazine
CID 1443560
1-cyclohexyl-4-[(S)-(1-cyclopentyltetrazol-5-yl)-(2-methoxyphenyl)methyl]piperazine
CID 1443548
1-benzyl-4-[(1-benzyltetrazol-5-yl)-(2-methoxyphenyl)methyl]piperazine
CID 3209730
1-benzyl-4-[(S)-(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]piperazine
CID 1443040
1-benzyl-4-[[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine
CID 3209350
1-[(R)-(1-cyclohexyltetrazol-5-yl)-(2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 1443142
3-[(R)-(4-benzylpiperazin-1-yl)-(1-cyclohexyltetrazol-5-yl)methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 1148619
1-[(1-cyclohexyltetrazol-5-yl)-(2,3-dimethoxyphenyl)methyl]-4-phenylpiperazine
CID 3208651

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[(R)-(1-cyclopentyltetrazol-5-yl)-(2-methoxyphenyl)methyl]piperazine?
The IUPAC name of 1-benzyl-4-[(R)-(1-cyclopentyltetrazol-5-yl)-(2-methoxyphenyl)methyl]piperazine (CID 51625541) is 1-benzyl-4-[(R)-(1-cyclopentyltetrazol-5-yl)-(2-methoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-benzyl-4-[(R)-(1-cyclopentyltetrazol-5-yl)-(2-methoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-benzyl-4-[(R)-(1-cyclopentyltetrazol-5-yl)-(2-methoxyphenyl)methyl]piperazine is COc1ccccc1[C@H](c1nnnn1C1CCCC1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-[(R)-(1-cyclopentyltetrazol-5-yl)-(2-methoxyphenyl)methyl]piperazine?
The InChIKey is BRKSKUNUZAAVRG-XMMPIXPASA-N. The full InChI is InChI=1S/C25H32N6O/c1-32-23-14-8-7-13-22(23)24(25-26-27-28-31(25)21-11-5-6-12-21)30-17-15-29(16-18-30)19-20-9-3-2-4-10-20/h2-4,7-10,13-14,21,24H,5-6,11-12,15-19H2,1H3/t24-/m1/s1.
What are the key properties of 1-benzyl-4-[(R)-(1-cyclopentyltetrazol-5-yl)-(2-methoxyphenyl)methyl]piperazine?
1-benzyl-4-[(R)-(1-cyclopentyltetrazol-5-yl)-(2-methoxyphenyl)methyl]piperazine has a molecular weight of 432.57 g/mol, XLogP of 3.70, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[(R)-(1-cyclopentyltetrazol-5-yl)-(2-methoxyphenyl)methyl]piperazine is sourced from PubChem (CID 51625541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).