1-[(1-tert-butyltetrazol-5-yl)-(3-methoxyphenyl)methyl]-4-phenylpiperidine

C24H31N5O — CID 56697933

IUPAC1-[(1-tert-butyltetrazol-5-yl)-(3-methoxyphenyl)methyl]-4-phenylpiperidine
SMILESCOc1cccc(C(c2nnnn2C(C)(C)C)N2CCC(c3ccccc3)CC2)c1
InChIInChI=1S/C24H31N5O/c1-24(2,3)29-23(25-26-27-29)22(20-11-8-12-21(17-20)30-4)28-15-13-19(14-16-28)18-9-6-5-7-10-18/h5-12,17,19,22H,13-16H2,1-4H3
InChIKeyUDCAGZWSDOWMAH-UHFFFAOYSA-N
MW405.55 g/mol
LogP4.41
Rot. Bonds5

About 1-[(1-tert-butyltetrazol-5-yl)-(3-methoxyphenyl)methyl]-4-phenylpiperidine

1-[(1-tert-butyltetrazol-5-yl)-(3-methoxyphenyl)methyl]-4-phenylpiperidine (PubChem CID 56697933) has the molecular formula C24H31N5O and a molecular weight of 405.55 g/mol. Its IUPAC name is 1-[(1-tert-butyltetrazol-5-yl)-(3-methoxyphenyl)methyl]-4-phenylpiperidine.

Molecular Properties

Compound Name1-[(1-tert-butyltetrazol-5-yl)-(3-methoxyphenyl)methyl]-4-phenylpiperidine
PubChem CID56697933
Molecular FormulaC24H31N5O
Molecular Weight405.55 g/mol
Exact Mass405.25
IUPAC Name1-[(1-tert-butyltetrazol-5-yl)-(3-methoxyphenyl)methyl]-4-phenylpiperidine
SMILESCOc1cccc(C(c2nnnn2C(C)(C)C)N2CCC(c3ccccc3)CC2)c1
InChIInChI=1S/C24H31N5O/c1-24(2,3)29-23(25-26-27-29)22(20-11-8-12-21(17-20)30-4)28-15-13-19(14-16-28)18-9-6-5-7-10-18/h5-12,17,19,22H,13-16H2,1-4H3
InChIKeyUDCAGZWSDOWMAH-UHFFFAOYSA-N
XLogP4.41
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.55
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(S)-(1-tert-butyltetrazol-5-yl)-(3-methoxyphenyl)methyl]-4-(3-chlorophenyl)piperazine
CID 1499515
1-[(1-tert-butyltetrazol-5-yl)-(3-methoxyphenyl)methyl]-4-(3-chlorophenyl)piperazine
CID 3842641
1-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidine;hydrochloride
CID 6603424
1-[(R)-(1-tert-butyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]-4-phenylpiperazine
CID 1444080
1-[(S)-(1-tert-butyltetrazol-5-yl)-(3,4,5-trimethoxyphenyl)methyl]-4-phenylpiperazine
CID 1444120
1-[(R)-(1-tert-butyltetrazol-5-yl)-phenylmethyl]-4-phenylpiperazine
CID 1443802
3-[(R)-(1-tert-butyltetrazol-5-yl)-piperidin-1-ylmethyl]pyridine
CID 1492586
1-benzyl-4-[(1-tert-butyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]piperazine
CID 3208984
1-[(S)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-phenylmethyl]piperidine-4-carboxamide
CID 1444441
1-[(R)-(1-tert-butyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]-4-(2-methoxyphenyl)piperazine
CID 1444056
1-benzhydryl-4-[(S)-(1-tert-butyltetrazol-5-yl)-thiophen-2-ylmethyl]piperazine
CID 28626221
1-[(S)-(1-tert-butyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-ethylpiperazine
CID 1443946

Frequently Asked Questions

What is the IUPAC name of 1-[(1-tert-butyltetrazol-5-yl)-(3-methoxyphenyl)methyl]-4-phenylpiperidine?
The IUPAC name of 1-[(1-tert-butyltetrazol-5-yl)-(3-methoxyphenyl)methyl]-4-phenylpiperidine (CID 56697933) is 1-[(1-tert-butyltetrazol-5-yl)-(3-methoxyphenyl)methyl]-4-phenylpiperidine.
What is the SMILES notation for 1-[(1-tert-butyltetrazol-5-yl)-(3-methoxyphenyl)methyl]-4-phenylpiperidine?
The canonical SMILES for 1-[(1-tert-butyltetrazol-5-yl)-(3-methoxyphenyl)methyl]-4-phenylpiperidine is COc1cccc(C(c2nnnn2C(C)(C)C)N2CCC(c3ccccc3)CC2)c1.
What is the InChIKey of 1-[(1-tert-butyltetrazol-5-yl)-(3-methoxyphenyl)methyl]-4-phenylpiperidine?
The InChIKey is UDCAGZWSDOWMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O/c1-24(2,3)29-23(25-26-27-29)22(20-11-8-12-21(17-20)30-4)28-15-13-19(14-16-28)18-9-6-5-7-10-18/h5-12,17,19,22H,13-16H2,1-4H3.
What are the key properties of 1-[(1-tert-butyltetrazol-5-yl)-(3-methoxyphenyl)methyl]-4-phenylpiperidine?
1-[(1-tert-butyltetrazol-5-yl)-(3-methoxyphenyl)methyl]-4-phenylpiperidine has a molecular weight of 405.55 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-tert-butyltetrazol-5-yl)-(3-methoxyphenyl)methyl]-4-phenylpiperidine is sourced from PubChem (CID 56697933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).