1-[(R)-(1-cyclohexyltetrazol-5-yl)-pyridin-2-ylmethyl]-4-(2-methoxyphenyl)piperazine

C24H31N7O — CID 1435698

IUPAC1-[(R)-(1-cyclohexyltetrazol-5-yl)-pyridin-2-ylmethyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN([C@H](c2ccccn2)c2nnnn2C2CCCCC2)CC1
InChIInChI=1S/C24H31N7O/c1-32-22-13-6-5-12-21(22)29-15-17-30(18-16-29)23(20-11-7-8-14-25-20)24-26-27-28-31(24)19-9-3-2-4-10-19/h5-8,11-14,19,23H,2-4,9-10,15-18H2,1H3/t23-/m1/s1
InChIKeyVLVFWQWIZGWUMP-HSZRJFAPSA-N
MW433.56 g/mol
LogP3.49
Rot. Bonds6

About 1-[(R)-(1-cyclohexyltetrazol-5-yl)-pyridin-2-ylmethyl]-4-(2-methoxyphenyl)piperazine

1-[(R)-(1-cyclohexyltetrazol-5-yl)-pyridin-2-ylmethyl]-4-(2-methoxyphenyl)piperazine (PubChem CID 1435698) has the molecular formula C24H31N7O and a molecular weight of 433.56 g/mol. Its IUPAC name is 1-[(R)-(1-cyclohexyltetrazol-5-yl)-pyridin-2-ylmethyl]-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[(R)-(1-cyclohexyltetrazol-5-yl)-pyridin-2-ylmethyl]-4-(2-methoxyphenyl)piperazine
PubChem CID1435698
Molecular FormulaC24H31N7O
Molecular Weight433.56 g/mol
Exact Mass433.26
IUPAC Name1-[(R)-(1-cyclohexyltetrazol-5-yl)-pyridin-2-ylmethyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN([C@H](c2ccccn2)c2nnnn2C2CCCCC2)CC1
InChIInChI=1S/C24H31N7O/c1-32-22-13-6-5-12-21(22)29-15-17-30(18-16-29)23(20-11-7-8-14-25-20)24-26-27-28-31(24)19-9-3-2-4-10-19/h5-8,11-14,19,23H,2-4,9-10,15-18H2,1H3/t23-/m1/s1
InChIKeyVLVFWQWIZGWUMP-HSZRJFAPSA-N
XLogP3.49
TPSA72.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-[(S)-(1-cyclohexyltetrazol-5-yl)-pyridin-2-ylmethyl]-4-(2-fluorophenyl)piperazine
CID 1437638
1-[(S)-(1-cyclopentyltetrazol-5-yl)-(4-methylphenyl)methyl]-4-(2-methoxyphenyl)piperazine
CID 1443400
1-[1-(1-cyclopentyltetrazol-5-yl)butyl]-4-(2-methoxyphenyl)piperazine
CID 3208678
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-[(1-cyclopentyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]-4-(2-fluorophenyl)piperazine
CID 3208797
1-[(S)-(1-cyclopentyltetrazol-5-yl)-pyridin-2-ylmethyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 1437129
3-[(S)-(1-cyclohexyltetrazol-5-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-7,8-dimethyl-1H-quinolin-2-one
CID 1145284
1-[(1-cyclohexyltetrazol-5-yl)-(2,3-dimethoxyphenyl)methyl]-4-phenylpiperazine
CID 3208651
7-[(S)-(1-cyclohexyltetrazol-5-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 6551326

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(1-cyclohexyltetrazol-5-yl)-pyridin-2-ylmethyl]-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-[(R)-(1-cyclohexyltetrazol-5-yl)-pyridin-2-ylmethyl]-4-(2-methoxyphenyl)piperazine (CID 1435698) is 1-[(R)-(1-cyclohexyltetrazol-5-yl)-pyridin-2-ylmethyl]-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[(R)-(1-cyclohexyltetrazol-5-yl)-pyridin-2-ylmethyl]-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-[(R)-(1-cyclohexyltetrazol-5-yl)-pyridin-2-ylmethyl]-4-(2-methoxyphenyl)piperazine is COc1ccccc1N1CCN([C@H](c2ccccn2)c2nnnn2C2CCCCC2)CC1.
What is the InChIKey of 1-[(R)-(1-cyclohexyltetrazol-5-yl)-pyridin-2-ylmethyl]-4-(2-methoxyphenyl)piperazine?
The InChIKey is VLVFWQWIZGWUMP-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H31N7O/c1-32-22-13-6-5-12-21(22)29-15-17-30(18-16-29)23(20-11-7-8-14-25-20)24-26-27-28-31(24)19-9-3-2-4-10-19/h5-8,11-14,19,23H,2-4,9-10,15-18H2,1H3/t23-/m1/s1.
What are the key properties of 1-[(R)-(1-cyclohexyltetrazol-5-yl)-pyridin-2-ylmethyl]-4-(2-methoxyphenyl)piperazine?
1-[(R)-(1-cyclohexyltetrazol-5-yl)-pyridin-2-ylmethyl]-4-(2-methoxyphenyl)piperazine has a molecular weight of 433.56 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-(1-cyclohexyltetrazol-5-yl)-pyridin-2-ylmethyl]-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 1435698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).