4-benzyl-1-[(1S)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]piperidine

C21H33N5 — CID 1428697

IUPAC4-benzyl-1-[(1S)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]piperidine
SMILESCC(C)[C@@H](c1nnnn1C(C)(C)C)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C21H33N5/c1-16(2)19(20-22-23-24-26(20)21(3,4)5)25-13-11-18(12-14-25)15-17-9-7-6-8-10-17/h6-10,16,18-19H,11-15H2,1-5H3/t19-/m0/s1
InChIKeyPCSBZJUCMCGNBW-IBGZPJMESA-N
MW355.53 g/mol
LogP4.08
Rot. Bonds5

About 4-benzyl-1-[(1S)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]piperidine

4-benzyl-1-[(1S)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]piperidine (PubChem CID 1428697) has the molecular formula C21H33N5 and a molecular weight of 355.53 g/mol. Its IUPAC name is 4-benzyl-1-[(1S)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]piperidine.

Molecular Properties

Compound Name4-benzyl-1-[(1S)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]piperidine
PubChem CID1428697
Molecular FormulaC21H33N5
Molecular Weight355.53 g/mol
Exact Mass355.27
IUPAC Name4-benzyl-1-[(1S)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]piperidine
SMILESCC(C)[C@@H](c1nnnn1C(C)(C)C)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C21H33N5/c1-16(2)19(20-22-23-24-26(20)21(3,4)5)25-13-11-18(12-14-25)15-17-9-7-6-8-10-17/h6-10,16,18-19H,11-15H2,1-5H3/t19-/m0/s1
InChIKeyPCSBZJUCMCGNBW-IBGZPJMESA-N
XLogP4.08
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.53
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-benzyl-1-[(1S)-2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]piperidine
CID 1430991
4-benzyl-1-[(S)-(1-tert-butyltetrazol-5-yl)-thiophen-2-ylmethyl]piperidine
CID 1431022
4-benzyl-1-[(R)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperidine
CID 1431025
1-[(1S)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-4-propylpiperazine
CID 1431560
4-[(1S)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]morpholine
CID 1438536
4-[1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]morpholine
CID 3193641
4-methyl-1-[2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperidine
CID 3213475
4-benzyl-1-propan-2-ylpiperidine
CID 22959492
1-[(1S)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-4-(2-methoxyphenyl)piperazine
CID 1443747
[4-[(1R)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 1431058
2-(4-benzylpiperidin-1-yl)propan-1-amine
CID 16642433
1-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidine;hydrochloride
CID 6603424

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-[(1S)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]piperidine?
The IUPAC name of 4-benzyl-1-[(1S)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]piperidine (CID 1428697) is 4-benzyl-1-[(1S)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]piperidine.
What is the SMILES notation for 4-benzyl-1-[(1S)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]piperidine?
The canonical SMILES for 4-benzyl-1-[(1S)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]piperidine is CC(C)[C@@H](c1nnnn1C(C)(C)C)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 4-benzyl-1-[(1S)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]piperidine?
The InChIKey is PCSBZJUCMCGNBW-IBGZPJMESA-N. The full InChI is InChI=1S/C21H33N5/c1-16(2)19(20-22-23-24-26(20)21(3,4)5)25-13-11-18(12-14-25)15-17-9-7-6-8-10-17/h6-10,16,18-19H,11-15H2,1-5H3/t19-/m0/s1.
What are the key properties of 4-benzyl-1-[(1S)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]piperidine?
4-benzyl-1-[(1S)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]piperidine has a molecular weight of 355.53 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-[(1S)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]piperidine is sourced from PubChem (CID 1428697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).