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

C19H29N5 — CID 3213475

IUPAC4-methyl-1-[2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperidine
SMILESCC1CCN(C(c2nnnn2CCc2ccccc2)C(C)C)CC1
InChIInChI=1S/C19H29N5/c1-15(2)18(23-12-9-16(3)10-13-23)19-20-21-22-24(19)14-11-17-7-5-4-6-8-17/h4-8,15-16,18H,9-14H2,1-3H3
InChIKeyHBYHFBYHUYHEJY-UHFFFAOYSA-N
MW327.48 g/mol
LogP3.34
Rot. Bonds6

About 4-methyl-1-[2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperidine

4-methyl-1-[2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperidine (PubChem CID 3213475) has the molecular formula C19H29N5 and a molecular weight of 327.48 g/mol. Its IUPAC name is 4-methyl-1-[2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperidine.

Molecular Properties

Compound Name4-methyl-1-[2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperidine
PubChem CID3213475
Molecular FormulaC19H29N5
Molecular Weight327.48 g/mol
Exact Mass327.24
IUPAC Name4-methyl-1-[2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperidine
SMILESCC1CCN(C(c2nnnn2CCc2ccccc2)C(C)C)CC1
InChIInChI=1S/C19H29N5/c1-15(2)18(23-12-9-16(3)10-13-23)19-20-21-22-24(19)14-11-17-7-5-4-6-8-17/h4-8,15-16,18H,9-14H2,1-3H3
InChIKeyHBYHFBYHUYHEJY-UHFFFAOYSA-N
XLogP3.34
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.48
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperidine
CID 3213474
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
(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
5,7-dimethyl-3-[(S)-(4-methylpiperidin-1-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one
CID 1471211
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
4-benzyl-1-[(1S)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]piperidine
CID 1428697
1-[[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperidin-4-ol
CID 3213464
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

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperidine?
The IUPAC name of 4-methyl-1-[2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperidine (CID 3213475) is 4-methyl-1-[2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperidine.
What is the SMILES notation for 4-methyl-1-[2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperidine?
The canonical SMILES for 4-methyl-1-[2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperidine is CC1CCN(C(c2nnnn2CCc2ccccc2)C(C)C)CC1.
What is the InChIKey of 4-methyl-1-[2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperidine?
The InChIKey is HBYHFBYHUYHEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5/c1-15(2)18(23-12-9-16(3)10-13-23)19-20-21-22-24(19)14-11-17-7-5-4-6-8-17/h4-8,15-16,18H,9-14H2,1-3H3.
What are the key properties of 4-methyl-1-[2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperidine?
4-methyl-1-[2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperidine has a molecular weight of 327.48 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperidine is sourced from PubChem (CID 3213475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).