6-[(R)-(1-cyclohexyltetrazol-5-yl)-piperidin-1-ylmethyl]quinoline

C22H28N6 — CID 1432393

IUPAC6-[(R)-(1-cyclohexyltetrazol-5-yl)-piperidin-1-ylmethyl]quinoline
SMILESc1cnc2ccc([C@H](c3nnnn3C3CCCCC3)N3CCCCC3)cc2c1
InChIInChI=1S/C22H28N6/c1-3-9-19(10-4-1)28-22(24-25-26-28)21(27-14-5-2-6-15-27)18-11-12-20-17(16-18)8-7-13-23-20/h7-8,11-13,16,19,21H,1-6,9-10,14-15H2/t21-/m1/s1
InChIKeyOLBARNXCIIDMBQ-OAQYLSRUSA-N
MW376.51 g/mol
LogP4.30
Rot. Bonds4

About 6-[(R)-(1-cyclohexyltetrazol-5-yl)-piperidin-1-ylmethyl]quinoline

6-[(R)-(1-cyclohexyltetrazol-5-yl)-piperidin-1-ylmethyl]quinoline (PubChem CID 1432393) has the molecular formula C22H28N6 and a molecular weight of 376.51 g/mol. Its IUPAC name is 6-[(R)-(1-cyclohexyltetrazol-5-yl)-piperidin-1-ylmethyl]quinoline.

Molecular Properties

Compound Name6-[(R)-(1-cyclohexyltetrazol-5-yl)-piperidin-1-ylmethyl]quinoline
PubChem CID1432393
Molecular FormulaC22H28N6
Molecular Weight376.51 g/mol
Exact Mass376.24
IUPAC Name6-[(R)-(1-cyclohexyltetrazol-5-yl)-piperidin-1-ylmethyl]quinoline
SMILESc1cnc2ccc([C@H](c3nnnn3C3CCCCC3)N3CCCCC3)cc2c1
InChIInChI=1S/C22H28N6/c1-3-9-19(10-4-1)28-22(24-25-26-28)21(27-14-5-2-6-15-27)18-11-12-20-17(16-18)8-7-13-23-20/h7-8,11-13,16,19,21H,1-6,9-10,14-15H2/t21-/m1/s1
InChIKeyOLBARNXCIIDMBQ-OAQYLSRUSA-N
XLogP4.30
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.51
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(R)-(1-cyclopentyltetrazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methyl]quinoline
CID 1438634
1-[(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]piperidine
CID 3173834
4-[(S)-azepan-1-yl-(1-cyclopentyltetrazol-5-yl)methyl]phenol
CID 861193
1-[(R)-(1-cyclohexyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidine
CID 858112
1-[(1-cyclohexyltetrazol-5-yl)-phenylmethyl]piperidine-4-carboxamide
CID 3208573
1-[(1-cyclohexyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]-4-methylpiperazine
CID 3201719
1-[(S)-(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]-4-methylpiperidine
CID 1433524
1-cyclohexyl-4-[(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]piperazine
CID 3208575
4-[(R)-(1-cyclohexyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-N,N-dimethylaniline
CID 1433911
4-[(S)-(1-cyclohexyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-N,N-dimethylaniline
CID 1433910
6-[(1-tert-butyltetrazol-5-yl)-(4-ethylpiperazin-1-yl)methyl]quinoline
CID 43811824
1-[(S)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-methylpiperazine
CID 858129

Frequently Asked Questions

What is the IUPAC name of 6-[(R)-(1-cyclohexyltetrazol-5-yl)-piperidin-1-ylmethyl]quinoline?
The IUPAC name of 6-[(R)-(1-cyclohexyltetrazol-5-yl)-piperidin-1-ylmethyl]quinoline (CID 1432393) is 6-[(R)-(1-cyclohexyltetrazol-5-yl)-piperidin-1-ylmethyl]quinoline.
What is the SMILES notation for 6-[(R)-(1-cyclohexyltetrazol-5-yl)-piperidin-1-ylmethyl]quinoline?
The canonical SMILES for 6-[(R)-(1-cyclohexyltetrazol-5-yl)-piperidin-1-ylmethyl]quinoline is c1cnc2ccc([C@H](c3nnnn3C3CCCCC3)N3CCCCC3)cc2c1.
What is the InChIKey of 6-[(R)-(1-cyclohexyltetrazol-5-yl)-piperidin-1-ylmethyl]quinoline?
The InChIKey is OLBARNXCIIDMBQ-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H28N6/c1-3-9-19(10-4-1)28-22(24-25-26-28)21(27-14-5-2-6-15-27)18-11-12-20-17(16-18)8-7-13-23-20/h7-8,11-13,16,19,21H,1-6,9-10,14-15H2/t21-/m1/s1.
What are the key properties of 6-[(R)-(1-cyclohexyltetrazol-5-yl)-piperidin-1-ylmethyl]quinoline?
6-[(R)-(1-cyclohexyltetrazol-5-yl)-piperidin-1-ylmethyl]quinoline has a molecular weight of 376.51 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(R)-(1-cyclohexyltetrazol-5-yl)-piperidin-1-ylmethyl]quinoline is sourced from PubChem (CID 1432393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).