4-benzyl-1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]piperidine;hydrochloride

C20H32ClN5O — CID 6603490

IUPAC4-benzyl-1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]piperidine;hydrochloride
SMILESCOCCn1nnnc1C(C(C)C)N1CCC(Cc2ccccc2)CC1.Cl
InChIInChI=1S/C20H31N5O.ClH/c1-16(2)19(20-21-22-23-25(20)13-14-26-3)24-11-9-18(10-12-24)15-17-7-5-4-6-8-17;/h4-8,16,18-19H,9-15H2,1-3H3;1H
InChIKeyMNBZJNBBOLQFDH-UHFFFAOYSA-N
MW393.96 g/mol
LogP3.39
Rot. Bonds8

About 4-benzyl-1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]piperidine;hydrochloride

4-benzyl-1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]piperidine;hydrochloride (PubChem CID 6603490) has the molecular formula C20H32ClN5O and a molecular weight of 393.96 g/mol. Its IUPAC name is 4-benzyl-1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]piperidine;hydrochloride.

Molecular Properties

Compound Name4-benzyl-1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]piperidine;hydrochloride
PubChem CID6603490
Molecular FormulaC20H32ClN5O
Molecular Weight393.96 g/mol
Exact Mass393.23
IUPAC Name4-benzyl-1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]piperidine;hydrochloride
SMILESCOCCn1nnnc1C(C(C)C)N1CCC(Cc2ccccc2)CC1.Cl
InChIInChI=1S/C20H31N5O.ClH/c1-16(2)19(20-21-22-23-25(20)13-14-26-3)24-11-9-18(10-12-24)15-17-7-5-4-6-8-17;/h4-8,16,18-19H,9-15H2,1-3H3;1H
InChIKeyMNBZJNBBOLQFDH-UHFFFAOYSA-N
XLogP3.39
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.96
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-((1-benzyl-1H-tetrazol-5-yl)(4-cyclobutyl-1,4-diazepan-1-yl)methyl)benzyl)morpholine
CID 44159523
1-Cyclopentyl-4-[1-(1-phenethyl-1H-tetrazol-5-yl)-butyl]-piperazine
CID 647025
4-Benzyl-1-[1-(1-tert-butyl-1H-tetrazol-5-yl)-2-methyl-propyl]-piperidine
CID 3193385
1-Benzyl-4-[(4-methylphenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine
CID 3209543
4-[[1-(2-Methoxy-ethyl)-1H-tetrazol-5-yl]-(4-trifluoromethyl-phenyl)-methyl]-morpholine
CID 3229145
1-Allyl-4-{[1-(3-methyl-butyl)-1H-tetrazol-5-yl]-phenyl-methyl}-piperazine
CID 6602544
1-Methyl-4-{[1-(3-methyl-butyl)-1H-tetrazol-5-yl]-p-tolyl-methyl}-piperazine
CID 6602545
1-Benzyl-4-{1-[1-(2-methoxy-ethyl)-1H-tetrazol-5-yl]-propyl}-piperazine
CID 6602589
1-Cyclopentyl-4-(1-phenethyl-1H-tetrazol-5-ylmethyl)-piperazine
CID 6602635
1-[(1-tert-Butyl-1H-tetrazol-5-yl)-phenyl-methyl]-4-methyl-piperidine
CID 6603424
1-{[1-(2-Methoxy-ethyl)-1H-tetrazol-5-yl]-phenyl-methyl}-4-methyl-piperazine
CID 6603646
1-Benzyl-4-{1-[1-(2-methoxy-ethyl)-1H-tetrazol-5-yl]-pentyl}-piperazine
CID 9549374

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]piperidine;hydrochloride?
The IUPAC name of 4-benzyl-1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]piperidine;hydrochloride (CID 6603490) is 4-benzyl-1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]piperidine;hydrochloride.
What is the SMILES notation for 4-benzyl-1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]piperidine;hydrochloride?
The canonical SMILES for 4-benzyl-1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]piperidine;hydrochloride is COCCn1nnnc1C(C(C)C)N1CCC(Cc2ccccc2)CC1.Cl.
What is the InChIKey of 4-benzyl-1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]piperidine;hydrochloride?
The InChIKey is MNBZJNBBOLQFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O.ClH/c1-16(2)19(20-21-22-23-25(20)13-14-26-3)24-11-9-18(10-12-24)15-17-7-5-4-6-8-17;/h4-8,16,18-19H,9-15H2,1-3H3;1H.
What are the key properties of 4-benzyl-1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]piperidine;hydrochloride?
4-benzyl-1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]piperidine;hydrochloride has a molecular weight of 393.96 g/mol, XLogP of 3.39, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]piperidine;hydrochloride is sourced from PubChem (CID 6603490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).