1-[(R)-(3,4-dimethoxyphenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-4-methylpiperidine

C23H28FN5O2 — CID 7382888

IUPAC1-[(R)-(3,4-dimethoxyphenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-4-methylpiperidine
SMILESCOc1ccc([C@H](c2nnnn2Cc2ccc(F)cc2)N2CCC(C)CC2)cc1OC
InChIInChI=1S/C23H28FN5O2/c1-16-10-12-28(13-11-16)22(18-6-9-20(30-2)21(14-18)31-3)23-25-26-27-29(23)15-17-4-7-19(24)8-5-17/h4-9,14,16,22H,10-13,15H2,1-3H3/t22-/m1/s1
InChIKeyDBTBBNITJDQELK-JOCHJYFZSA-N
MW425.51 g/mol
LogP3.70
Rot. Bonds7

About 1-[(R)-(3,4-dimethoxyphenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-4-methylpiperidine

1-[(R)-(3,4-dimethoxyphenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-4-methylpiperidine (PubChem CID 7382888) has the molecular formula C23H28FN5O2 and a molecular weight of 425.51 g/mol. Its IUPAC name is 1-[(R)-(3,4-dimethoxyphenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[(R)-(3,4-dimethoxyphenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-4-methylpiperidine
PubChem CID7382888
Molecular FormulaC23H28FN5O2
Molecular Weight425.51 g/mol
Exact Mass425.22
IUPAC Name1-[(R)-(3,4-dimethoxyphenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-4-methylpiperidine
SMILESCOc1ccc([C@H](c2nnnn2Cc2ccc(F)cc2)N2CCC(C)CC2)cc1OC
InChIInChI=1S/C23H28FN5O2/c1-16-10-12-28(13-11-16)22(18-6-9-20(30-2)21(14-18)31-3)23-25-26-27-29(23)15-17-4-7-19(24)8-5-17/h4-9,14,16,22H,10-13,15H2,1-3H3/t22-/m1/s1
InChIKeyDBTBBNITJDQELK-JOCHJYFZSA-N
XLogP3.70
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[(R)-(3,4-dimethoxyphenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-4-methylpiperidine with MolForge

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Related Compounds

1-cyclohexyl-4-[(S)-(3,4-dimethoxyphenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperazine
CID 1446680
1-[(R)-(4-chlorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-4-methylpiperidine
CID 1433509
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-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-phenylmethyl]-4-methylpiperidine;hydrochloride
CID 171668014
1-[(1-benzyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 171668401
1-benzyl-4-[(R)-(1-benzyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]piperazine
CID 51625873
1-[(4-fluorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide
CID 3209845
1-[(R)-(4-fluorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide
CID 1446597
1-[(S)-(2,5-dimethoxyphenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-4-methylpiperazine
CID 7383122
1-[(R)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(2-methoxyphenyl)methyl]-4-methylpiperazine
CID 1446661
1-[(1-benzyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]-4-(2-fluorophenyl)piperazine;hydrochloride
CID 171668399

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(3,4-dimethoxyphenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-4-methylpiperidine?
The IUPAC name of 1-[(R)-(3,4-dimethoxyphenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-4-methylpiperidine (CID 7382888) is 1-[(R)-(3,4-dimethoxyphenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-4-methylpiperidine.
What is the SMILES notation for 1-[(R)-(3,4-dimethoxyphenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-4-methylpiperidine?
The canonical SMILES for 1-[(R)-(3,4-dimethoxyphenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-4-methylpiperidine is COc1ccc([C@H](c2nnnn2Cc2ccc(F)cc2)N2CCC(C)CC2)cc1OC.
What is the InChIKey of 1-[(R)-(3,4-dimethoxyphenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-4-methylpiperidine?
The InChIKey is DBTBBNITJDQELK-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H28FN5O2/c1-16-10-12-28(13-11-16)22(18-6-9-20(30-2)21(14-18)31-3)23-25-26-27-29(23)15-17-4-7-19(24)8-5-17/h4-9,14,16,22H,10-13,15H2,1-3H3/t22-/m1/s1.
What are the key properties of 1-[(R)-(3,4-dimethoxyphenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-4-methylpiperidine?
1-[(R)-(3,4-dimethoxyphenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-4-methylpiperidine has a molecular weight of 425.51 g/mol, XLogP of 3.70, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-(3,4-dimethoxyphenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-4-methylpiperidine is sourced from PubChem (CID 7382888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).