1-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidine;hydrochloride

C18H28ClN5 — CID 6603424

IUPAC1-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidine;hydrochloride
SMILESCC1CCN(C(c2ccccc2)c2nnnn2C(C)(C)C)CC1.Cl
InChIInChI=1S/C18H27N5.ClH/c1-14-10-12-22(13-11-14)16(15-8-6-5-7-9-15)17-19-20-21-23(17)18(2,3)4;/h5-9,14,16H,10-13H2,1-4H3;1H
InChIKeyWXBAYXDCFMKZBC-UHFFFAOYSA-N
MW349.91 g/mol
LogP3.67
Rot. Bonds3

About 1-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidine;hydrochloride

1-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidine;hydrochloride (PubChem CID 6603424) has the molecular formula C18H28ClN5 and a molecular weight of 349.91 g/mol. Its IUPAC name is 1-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidine;hydrochloride.

Molecular Properties

Compound Name1-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidine;hydrochloride
PubChem CID6603424
Molecular FormulaC18H28ClN5
Molecular Weight349.91 g/mol
Exact Mass349.20
IUPAC Name1-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidine;hydrochloride
SMILESCC1CCN(C(c2ccccc2)c2nnnn2C(C)(C)C)CC1.Cl
InChIInChI=1S/C18H27N5.ClH/c1-14-10-12-22(13-11-14)16(15-8-6-5-7-9-15)17-19-20-21-23(17)18(2,3)4;/h5-9,14,16H,10-13H2,1-4H3;1H
InChIKeyWXBAYXDCFMKZBC-UHFFFAOYSA-N
XLogP3.67
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.91
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(R)-(1-tert-butyltetrazol-5-yl)-phenylmethyl]-4-phenylpiperazine
CID 1443802
1-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidine
CID 3201581
1-[(S)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-phenylmethyl]piperidine-4-carboxamide
CID 1444441
1-[(R)-(1-cyclohexyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidine
CID 858112
1-benzhydryl-4-[(S)-(1-tert-butyltetrazol-5-yl)-thiophen-2-ylmethyl]piperazine
CID 28626221
4-[2-[4-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]piperazin-1-yl]ethyl]morpholine
CID 53300936
1-[(1-tert-butyltetrazol-5-yl)-(3-methoxyphenyl)methyl]-4-phenylpiperidine
CID 56697933
1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-phenylmethyl]-4-methylpiperidine;hydrochloride
CID 171668014
3-[(R)-(1-tert-butyltetrazol-5-yl)-piperidin-1-ylmethyl]pyridine
CID 1492586
1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-phenylmethyl]-4-methylpiperidine
CID 3201583
1-[(S)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-phenylmethyl]-4-methylpiperidine
CID 1433407
1-ethyl-4-[(S)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-phenylmethyl]piperazine
CID 1444406

Frequently Asked Questions

What is the IUPAC name of 1-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidine;hydrochloride?
The IUPAC name of 1-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidine;hydrochloride (CID 6603424) is 1-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidine;hydrochloride.
What is the SMILES notation for 1-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidine;hydrochloride?
The canonical SMILES for 1-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidine;hydrochloride is CC1CCN(C(c2ccccc2)c2nnnn2C(C)(C)C)CC1.Cl.
What is the InChIKey of 1-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidine;hydrochloride?
The InChIKey is WXBAYXDCFMKZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5.ClH/c1-14-10-12-22(13-11-14)16(15-8-6-5-7-9-15)17-19-20-21-23(17)18(2,3)4;/h5-9,14,16H,10-13H2,1-4H3;1H.
What are the key properties of 1-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidine;hydrochloride?
1-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidine;hydrochloride has a molecular weight of 349.91 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidine;hydrochloride is sourced from PubChem (CID 6603424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).