3-[(R)-(1-tert-butyltetrazol-5-yl)-piperidin-1-ylmethyl]pyridine

C16H24N6 — CID 1492586

IUPAC3-[(R)-(1-tert-butyltetrazol-5-yl)-piperidin-1-ylmethyl]pyridine
SMILESCC(C)(C)n1nnnc1[C@H](c1cccnc1)N1CCCCC1
InChIInChI=1S/C16H24N6/c1-16(2,3)22-15(18-19-20-22)14(13-8-7-9-17-12-13)21-10-5-4-6-11-21/h7-9,12,14H,4-6,10-11H2,1-3H3/t14-/m0/s1
InChIKeyGBABCNMDEPUMFE-AWEZNQCLSA-N
MW300.41 g/mol
LogP2.40
Rot. Bonds3

About 3-[(R)-(1-tert-butyltetrazol-5-yl)-piperidin-1-ylmethyl]pyridine

3-[(R)-(1-tert-butyltetrazol-5-yl)-piperidin-1-ylmethyl]pyridine (PubChem CID 1492586) has the molecular formula C16H24N6 and a molecular weight of 300.41 g/mol. Its IUPAC name is 3-[(R)-(1-tert-butyltetrazol-5-yl)-piperidin-1-ylmethyl]pyridine.

Molecular Properties

Compound Name3-[(R)-(1-tert-butyltetrazol-5-yl)-piperidin-1-ylmethyl]pyridine
PubChem CID1492586
Molecular FormulaC16H24N6
Molecular Weight300.41 g/mol
Exact Mass300.21
IUPAC Name3-[(R)-(1-tert-butyltetrazol-5-yl)-piperidin-1-ylmethyl]pyridine
SMILESCC(C)(C)n1nnnc1[C@H](c1cccnc1)N1CCCCC1
InChIInChI=1S/C16H24N6/c1-16(2,3)22-15(18-19-20-22)14(13-8-7-9-17-12-13)21-10-5-4-6-11-21/h7-9,12,14H,4-6,10-11H2,1-3H3/t14-/m0/s1
InChIKeyGBABCNMDEPUMFE-AWEZNQCLSA-N
XLogP2.40
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[(R)-(1-tert-butyltetrazol-5-yl)-piperidin-1-ylmethyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[(R)-(1-tert-butyltetrazol-5-yl)-pyridin-3-ylmethyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 1435881
1-[(R)-(1-tert-butyltetrazol-5-yl)-phenylmethyl]-4-phenylpiperazine
CID 1443802
1-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidine;hydrochloride
CID 6603424
1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-pyridin-3-ylmethyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 3229211
1-benzhydryl-4-[(S)-(1-tert-butyltetrazol-5-yl)-thiophen-2-ylmethyl]piperazine
CID 28626221
4-[2-[4-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]piperazin-1-yl]ethyl]morpholine
CID 53300936
1-[(S)-(1-tert-butyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-pyridin-1-ium-2-ylpiperazin-1-ium
CID 7424908
1-[(1-tert-butyltetrazol-5-yl)-(3-methoxyphenyl)methyl]-4-phenylpiperidine
CID 56697933
1-[(1-tert-butyltetrazol-5-yl)-(4-chlorophenyl)methyl]-4-methylpiperazine
CID 3201741
4-[(1-tert-butyltetrazol-5-yl)-(4-fluorophenyl)methyl]thiomorpholine
CID 3193511
2-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-piperidin-1-ylmethyl]pyridine
CID 3229114
1-[(R)-(1-tert-butyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-methylpiperazine
CID 1489640

Frequently Asked Questions

What is the IUPAC name of 3-[(R)-(1-tert-butyltetrazol-5-yl)-piperidin-1-ylmethyl]pyridine?
The IUPAC name of 3-[(R)-(1-tert-butyltetrazol-5-yl)-piperidin-1-ylmethyl]pyridine (CID 1492586) is 3-[(R)-(1-tert-butyltetrazol-5-yl)-piperidin-1-ylmethyl]pyridine.
What is the SMILES notation for 3-[(R)-(1-tert-butyltetrazol-5-yl)-piperidin-1-ylmethyl]pyridine?
The canonical SMILES for 3-[(R)-(1-tert-butyltetrazol-5-yl)-piperidin-1-ylmethyl]pyridine is CC(C)(C)n1nnnc1[C@H](c1cccnc1)N1CCCCC1.
What is the InChIKey of 3-[(R)-(1-tert-butyltetrazol-5-yl)-piperidin-1-ylmethyl]pyridine?
The InChIKey is GBABCNMDEPUMFE-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H24N6/c1-16(2,3)22-15(18-19-20-22)14(13-8-7-9-17-12-13)21-10-5-4-6-11-21/h7-9,12,14H,4-6,10-11H2,1-3H3/t14-/m0/s1.
What are the key properties of 3-[(R)-(1-tert-butyltetrazol-5-yl)-piperidin-1-ylmethyl]pyridine?
3-[(R)-(1-tert-butyltetrazol-5-yl)-piperidin-1-ylmethyl]pyridine has a molecular weight of 300.41 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(R)-(1-tert-butyltetrazol-5-yl)-piperidin-1-ylmethyl]pyridine is sourced from PubChem (CID 1492586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).