(3R,4R)-4-[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]-3-phenylmethoxypiperidine

C23H28N4O2 — CID 71606432

IUPAC(3R,4R)-4-[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]-3-phenylmethoxypiperidine
SMILESCOc1ccc(CCn2cc([C@H]3CCNC[C@@H]3OCc3ccccc3)nn2)cc1
InChIInChI=1S/C23H28N4O2/c1-28-20-9-7-18(8-10-20)12-14-27-16-22(25-26-27)21-11-13-24-15-23(21)29-17-19-5-3-2-4-6-19/h2-10,16,21,23-24H,11-15,17H2,1H3/t21-,23+/m1/s1
InChIKeyCCGHRXWELAGNFM-GGAORHGYSA-N
MW392.50 g/mol
LogP3.19
Rot. Bonds8

About (3R,4R)-4-[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]-3-phenylmethoxypiperidine

(3R,4R)-4-[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]-3-phenylmethoxypiperidine (PubChem CID 71606432) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is (3R,4R)-4-[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]-3-phenylmethoxypiperidine.

Molecular Properties

Compound Name(3R,4R)-4-[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]-3-phenylmethoxypiperidine
PubChem CID71606432
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name(3R,4R)-4-[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]-3-phenylmethoxypiperidine
SMILESCOc1ccc(CCn2cc([C@H]3CCNC[C@@H]3OCc3ccccc3)nn2)cc1
InChIInChI=1S/C23H28N4O2/c1-28-20-9-7-18(8-10-20)12-14-27-16-22(25-26-27)21-11-13-24-15-23(21)29-17-19-5-3-2-4-6-19/h2-10,16,21,23-24H,11-15,17H2,1H3/t21-,23+/m1/s1
InChIKeyCCGHRXWELAGNFM-GGAORHGYSA-N
XLogP3.19
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]-3-phenylmethoxypiperidine
CID 77392369
3-[(4-methoxyphenyl)methoxy]-4-phenylpiperidine
CID 22127654
1-(2-phenylethyl)-4-pyrrolidin-2-yltriazole
CID 167858077
4-methyl-3-phenylmethoxypiperidine
CID 102954119
4-(4-fluorophenyl)-3-[(6-methoxynaphthalen-2-yl)methoxy]piperidine
CID 22126304
3-(naphthalen-2-ylmethoxy)-4-(4-propylphenyl)piperidine
CID 173295938
1-[[(1S,2S,3S,4R,5S,6R)-2,5-bis[(4-methoxyphenyl)methoxy]-3,4,6-tris(phenylmethoxy)cyclohexyl]oxymethyl]-4-methoxybenzene
CID 11764294
4-(3-methylphenyl)-3-phenylmethoxypiperidine
CID 21193252
(4S,5R)-1-benzyl-5-[(4-methoxyphenyl)methyl]-4-phenylmethoxypyrrolidin-2-one
CID 134850809
(3R,4R)-3-phenylmethoxy-4-(3-phenylphenyl)piperidine;hydrochloride
CID 67542732
(3R,4R)-4-(furan-3-yl)-3-[(4-phenylphenyl)methoxy]piperidine
CID 59674730
(3R,4R)-4-(3-phenylphenyl)-3-[(4-phenylphenyl)methoxy]piperidine;hydrochloride
CID 67543801

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]-3-phenylmethoxypiperidine?
The IUPAC name of (3R,4R)-4-[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]-3-phenylmethoxypiperidine (CID 71606432) is (3R,4R)-4-[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]-3-phenylmethoxypiperidine.
What is the SMILES notation for (3R,4R)-4-[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]-3-phenylmethoxypiperidine?
The canonical SMILES for (3R,4R)-4-[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]-3-phenylmethoxypiperidine is COc1ccc(CCn2cc([C@H]3CCNC[C@@H]3OCc3ccccc3)nn2)cc1.
What is the InChIKey of (3R,4R)-4-[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]-3-phenylmethoxypiperidine?
The InChIKey is CCGHRXWELAGNFM-GGAORHGYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-28-20-9-7-18(8-10-20)12-14-27-16-22(25-26-27)21-11-13-24-15-23(21)29-17-19-5-3-2-4-6-19/h2-10,16,21,23-24H,11-15,17H2,1H3/t21-,23+/m1/s1.
What are the key properties of (3R,4R)-4-[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]-3-phenylmethoxypiperidine?
(3R,4R)-4-[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]-3-phenylmethoxypiperidine has a molecular weight of 392.50 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]-3-phenylmethoxypiperidine is sourced from PubChem (CID 71606432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).