1-[(S)-(1-cyclohexyltetrazol-5-yl)-pyridin-2-ylmethyl]-4-(2-fluorophenyl)piperazine

C23H28FN7 — CID 1437638

IUPAC1-[(S)-(1-cyclohexyltetrazol-5-yl)-pyridin-2-ylmethyl]-4-(2-fluorophenyl)piperazine
SMILESFc1ccccc1N1CCN([C@@H](c2ccccn2)c2nnnn2C2CCCCC2)CC1
InChIInChI=1S/C23H28FN7/c24-19-10-4-5-12-21(19)29-14-16-30(17-15-29)22(20-11-6-7-13-25-20)23-26-27-28-31(23)18-8-2-1-3-9-18/h4-7,10-13,18,22H,1-3,8-9,14-17H2/t22-/m0/s1
InChIKeyNSCCSAZYDWRBMK-QFIPXVFZSA-N
MW421.52 g/mol
LogP3.62
Rot. Bonds5

About 1-[(S)-(1-cyclohexyltetrazol-5-yl)-pyridin-2-ylmethyl]-4-(2-fluorophenyl)piperazine

1-[(S)-(1-cyclohexyltetrazol-5-yl)-pyridin-2-ylmethyl]-4-(2-fluorophenyl)piperazine (PubChem CID 1437638) has the molecular formula C23H28FN7 and a molecular weight of 421.52 g/mol. Its IUPAC name is 1-[(S)-(1-cyclohexyltetrazol-5-yl)-pyridin-2-ylmethyl]-4-(2-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-[(S)-(1-cyclohexyltetrazol-5-yl)-pyridin-2-ylmethyl]-4-(2-fluorophenyl)piperazine
PubChem CID1437638
Molecular FormulaC23H28FN7
Molecular Weight421.52 g/mol
Exact Mass421.24
IUPAC Name1-[(S)-(1-cyclohexyltetrazol-5-yl)-pyridin-2-ylmethyl]-4-(2-fluorophenyl)piperazine
SMILESFc1ccccc1N1CCN([C@@H](c2ccccn2)c2nnnn2C2CCCCC2)CC1
InChIInChI=1S/C23H28FN7/c24-19-10-4-5-12-21(19)29-14-16-30(17-15-29)22(20-11-6-7-13-25-20)23-26-27-28-31(23)18-8-2-1-3-9-18/h4-7,10-13,18,22H,1-3,8-9,14-17H2/t22-/m0/s1
InChIKeyNSCCSAZYDWRBMK-QFIPXVFZSA-N
XLogP3.62
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(R)-(1-cyclohexyltetrazol-5-yl)-pyridin-2-ylmethyl]-4-(2-methoxyphenyl)piperazine
CID 1435698
1-[(R)-(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(2-fluorophenyl)piperazine
CID 1438445
1-[(S)-(1-cyclopentyltetrazol-5-yl)-pyridin-2-ylmethyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 1437129
1-[1-(1-cyclopentyltetrazol-5-yl)propyl]-4-(2-fluorophenyl)piperazine
CID 647944
1-[(1-cyclopentyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]-4-(2-fluorophenyl)piperazine
CID 3208797
1-[1-(1-cyclopentyltetrazol-5-yl)butyl]-4-(2-fluorophenyl)piperazine chloride
CID 53313628
1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)-3-methylbutyl]-4-(2-fluorophenyl)piperazine
CID 1443305
3-[(S)-(1-cyclohexyltetrazol-5-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 1148612
7-[(R)-(1-cyclohexyltetrazol-5-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 1161155
3-[(1-cyclopentyltetrazol-5-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methyl]-8-methyl-1H-quinolin-2-one
CID 3175201
3-[(R)-(1-cyclopentyltetrazol-5-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methyl]-7-methyl-1H-quinolin-2-one
CID 1146811
3-[(1-cyclopentyltetrazol-5-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 3175347

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-(1-cyclohexyltetrazol-5-yl)-pyridin-2-ylmethyl]-4-(2-fluorophenyl)piperazine?
The IUPAC name of 1-[(S)-(1-cyclohexyltetrazol-5-yl)-pyridin-2-ylmethyl]-4-(2-fluorophenyl)piperazine (CID 1437638) is 1-[(S)-(1-cyclohexyltetrazol-5-yl)-pyridin-2-ylmethyl]-4-(2-fluorophenyl)piperazine.
What is the SMILES notation for 1-[(S)-(1-cyclohexyltetrazol-5-yl)-pyridin-2-ylmethyl]-4-(2-fluorophenyl)piperazine?
The canonical SMILES for 1-[(S)-(1-cyclohexyltetrazol-5-yl)-pyridin-2-ylmethyl]-4-(2-fluorophenyl)piperazine is Fc1ccccc1N1CCN([C@@H](c2ccccn2)c2nnnn2C2CCCCC2)CC1.
What is the InChIKey of 1-[(S)-(1-cyclohexyltetrazol-5-yl)-pyridin-2-ylmethyl]-4-(2-fluorophenyl)piperazine?
The InChIKey is NSCCSAZYDWRBMK-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H28FN7/c24-19-10-4-5-12-21(19)29-14-16-30(17-15-29)22(20-11-6-7-13-25-20)23-26-27-28-31(23)18-8-2-1-3-9-18/h4-7,10-13,18,22H,1-3,8-9,14-17H2/t22-/m0/s1.
What are the key properties of 1-[(S)-(1-cyclohexyltetrazol-5-yl)-pyridin-2-ylmethyl]-4-(2-fluorophenyl)piperazine?
1-[(S)-(1-cyclohexyltetrazol-5-yl)-pyridin-2-ylmethyl]-4-(2-fluorophenyl)piperazine has a molecular weight of 421.52 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-(1-cyclohexyltetrazol-5-yl)-pyridin-2-ylmethyl]-4-(2-fluorophenyl)piperazine is sourced from PubChem (CID 1437638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).