1-[2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperidine

C18H27N5 — CID 3213474

IUPAC1-[2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperidine
SMILESCC(C)C(c1nnnn1CCc1ccccc1)N1CCCCC1
InChIInChI=1S/C18H27N5/c1-15(2)17(22-12-7-4-8-13-22)18-19-20-21-23(18)14-11-16-9-5-3-6-10-16/h3,5-6,9-10,15,17H,4,7-8,11-14H2,1-2H3
InChIKeyLKUFFRHDRKWEEH-UHFFFAOYSA-N
MW313.45 g/mol
LogP3.10
Rot. Bonds6

About 1-[2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperidine

1-[2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperidine (PubChem CID 3213474) has the molecular formula C18H27N5 and a molecular weight of 313.45 g/mol. Its IUPAC name is 1-[2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperidine.

Molecular Properties

Compound Name1-[2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperidine
PubChem CID3213474
Molecular FormulaC18H27N5
Molecular Weight313.45 g/mol
Exact Mass313.23
IUPAC Name1-[2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperidine
SMILESCC(C)C(c1nnnn1CCc1ccccc1)N1CCCCC1
InChIInChI=1S/C18H27N5/c1-15(2)17(22-12-7-4-8-13-22)18-19-20-21-23(18)14-11-16-9-5-3-6-10-16/h3,5-6,9-10,15,17H,4,7-8,11-14H2,1-2H3
InChIKeyLKUFFRHDRKWEEH-UHFFFAOYSA-N
XLogP3.10
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-1-[2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperidine
CID 3213475
2-[(1S)-2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]-3,4-dihydro-1H-isoquinoline
CID 1454839
1-[(1S)-3-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]-4-[(1R)-3-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperazine
CID 98111409
1-methyl-4-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazine
CID 3210459
N-ethyl-1-[1-(2-phenylethyl)tetrazol-5-yl]ethanamine
CID 103085404
1-[(R)-(2-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-methylpiperazine
CID 1449183
4-[(1R)-2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]thiomorpholin-4-ium
CID 7390833
1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]azepane
CID 1454749
(3R)-3-methyl-1-[(R)-[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperidine
CID 6557848
1-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperidine-4-carboxamide
CID 3210464
1-[(1R)-1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-4-(4-fluorophenyl)piperazine
CID 1446070
1-[(4-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-methylpiperazine;hydrochloride
CID 171668058

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperidine?
The IUPAC name of 1-[2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperidine (CID 3213474) is 1-[2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperidine.
What is the SMILES notation for 1-[2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperidine?
The canonical SMILES for 1-[2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperidine is CC(C)C(c1nnnn1CCc1ccccc1)N1CCCCC1.
What is the InChIKey of 1-[2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperidine?
The InChIKey is LKUFFRHDRKWEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5/c1-15(2)17(22-12-7-4-8-13-22)18-19-20-21-23(18)14-11-16-9-5-3-6-10-16/h3,5-6,9-10,15,17H,4,7-8,11-14H2,1-2H3.
What are the key properties of 1-[2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperidine?
1-[2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperidine has a molecular weight of 313.45 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperidine is sourced from PubChem (CID 3213474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).