4-(2-methylpropoxy)-1-[1-(1-phenyltetrazol-5-yl)ethyl]piperidine

C18H27N5O — CID 87022114

IUPAC4-(2-methylpropoxy)-1-[1-(1-phenyltetrazol-5-yl)ethyl]piperidine
SMILESCC(C)COC1CCN(C(C)c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C18H27N5O/c1-14(2)13-24-17-9-11-22(12-10-17)15(3)18-19-20-21-23(18)16-7-5-4-6-8-16/h4-8,14-15,17H,9-13H2,1-3H3
InChIKeyJCRDCNATYBZFJM-UHFFFAOYSA-N
MW329.45 g/mol
LogP2.86
Rot. Bonds6

About 4-(2-methylpropoxy)-1-[1-(1-phenyltetrazol-5-yl)ethyl]piperidine

4-(2-methylpropoxy)-1-[1-(1-phenyltetrazol-5-yl)ethyl]piperidine (PubChem CID 87022114) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is 4-(2-methylpropoxy)-1-[1-(1-phenyltetrazol-5-yl)ethyl]piperidine.

Molecular Properties

Compound Name4-(2-methylpropoxy)-1-[1-(1-phenyltetrazol-5-yl)ethyl]piperidine
PubChem CID87022114
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC Name4-(2-methylpropoxy)-1-[1-(1-phenyltetrazol-5-yl)ethyl]piperidine
SMILESCC(C)COC1CCN(C(C)c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C18H27N5O/c1-14(2)13-24-17-9-11-22(12-10-17)15(3)18-19-20-21-23(18)16-7-5-4-6-8-16/h4-8,14-15,17H,9-13H2,1-3H3
InChIKeyJCRDCNATYBZFJM-UHFFFAOYSA-N
XLogP2.86
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-imidazol-1-yl-4-methyl-1-[1-(1-phenyltetrazol-5-yl)ethyl]piperidine
CID 132969991
N,N-dimethyl-2-[4-[1-(1-phenyltetrazol-5-yl)ethyl]piperazin-1-yl]acetamide
CID 51086676
N,N-dimethyl-2-[4-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]piperazin-1-yl]acetamide
CID 94399883
4-[(2-methoxyphenyl)methoxy]-1-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]piperidine
CID 124621758
(4aS,7aS)-4-methyl-6-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 98851778
3-(1-phenyltetrazol-5-yl)pentan-2-ol
CID 63201375
2-[(1R)-1-[4-(2-methylpropoxy)piperidin-1-yl]ethyl]-3H-quinazolin-4-one
CID 136892706
N-ethyl-3-(1-phenyltetrazol-5-yl)butan-2-amine
CID 63199558
3,5-dimethyl-4-[4-[1-(1-phenyltetrazol-5-yl)ethyl]piperazin-1-yl]sulfonyl-1,2-oxazole
CID 60503033
N-[1-(1-phenyltetrazol-5-yl)ethyl]propan-1-amine
CID 103710980
5-(1-methylsulfonylethyl)-1-phenyltetrazole
CID 47226147
N-[3-(2-methylpropoxy)propyl]-1-phenyltetrazol-5-amine
CID 103604297

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropoxy)-1-[1-(1-phenyltetrazol-5-yl)ethyl]piperidine?
The IUPAC name of 4-(2-methylpropoxy)-1-[1-(1-phenyltetrazol-5-yl)ethyl]piperidine (CID 87022114) is 4-(2-methylpropoxy)-1-[1-(1-phenyltetrazol-5-yl)ethyl]piperidine.
What is the SMILES notation for 4-(2-methylpropoxy)-1-[1-(1-phenyltetrazol-5-yl)ethyl]piperidine?
The canonical SMILES for 4-(2-methylpropoxy)-1-[1-(1-phenyltetrazol-5-yl)ethyl]piperidine is CC(C)COC1CCN(C(C)c2nnnn2-c2ccccc2)CC1.
What is the InChIKey of 4-(2-methylpropoxy)-1-[1-(1-phenyltetrazol-5-yl)ethyl]piperidine?
The InChIKey is JCRDCNATYBZFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c1-14(2)13-24-17-9-11-22(12-10-17)15(3)18-19-20-21-23(18)16-7-5-4-6-8-16/h4-8,14-15,17H,9-13H2,1-3H3.
What are the key properties of 4-(2-methylpropoxy)-1-[1-(1-phenyltetrazol-5-yl)ethyl]piperidine?
4-(2-methylpropoxy)-1-[1-(1-phenyltetrazol-5-yl)ethyl]piperidine has a molecular weight of 329.45 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropoxy)-1-[1-(1-phenyltetrazol-5-yl)ethyl]piperidine is sourced from PubChem (CID 87022114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).