(3S,4S)-4-[1-(2-phenylethyl)triazol-4-yl]-3-phenylmethoxypiperidine

C22H26N4O — CID 67987394

IUPAC(3S,4S)-4-[1-(2-phenylethyl)triazol-4-yl]-3-phenylmethoxypiperidine
SMILESc1ccc(CCn2cc([C@@H]3CCNC[C@H]3OCc3ccccc3)nn2)cc1
InChIInChI=1S/C22H26N4O/c1-3-7-18(8-4-1)12-14-26-16-21(24-25-26)20-11-13-23-15-22(20)27-17-19-9-5-2-6-10-19/h1-10,16,20,22-23H,11-15,17H2/t20-,22+/m0/s1
InChIKeyXVIKUHDQVDPNTG-RBBKRZOGSA-N
MW362.48 g/mol
LogP3.18
Rot. Bonds7

About (3S,4S)-4-[1-(2-phenylethyl)triazol-4-yl]-3-phenylmethoxypiperidine

(3S,4S)-4-[1-(2-phenylethyl)triazol-4-yl]-3-phenylmethoxypiperidine (PubChem CID 67987394) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is (3S,4S)-4-[1-(2-phenylethyl)triazol-4-yl]-3-phenylmethoxypiperidine.

Molecular Properties

Compound Name(3S,4S)-4-[1-(2-phenylethyl)triazol-4-yl]-3-phenylmethoxypiperidine
PubChem CID67987394
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name(3S,4S)-4-[1-(2-phenylethyl)triazol-4-yl]-3-phenylmethoxypiperidine
SMILESc1ccc(CCn2cc([C@@H]3CCNC[C@H]3OCc3ccccc3)nn2)cc1
InChIInChI=1S/C22H26N4O/c1-3-7-18(8-4-1)12-14-26-16-21(24-25-26)20-11-13-23-15-22(20)27-17-19-9-5-2-6-10-19/h1-10,16,20,22-23H,11-15,17H2/t20-,22+/m0/s1
InChIKeyXVIKUHDQVDPNTG-RBBKRZOGSA-N
XLogP3.18
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S,4S)-4-[1-(2-phenylethyl)triazol-4-yl]-3-phenylmethoxypiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[4-[4-(4-fluorophenyl)triazol-1-yl]phenyl]morpholine
CID 71656893
(2R)-2-[4-[4-(4-fluorophenyl)triazol-1-yl]phenyl]morpholine
CID 71656894
(2S)-2-[4-[1-(4-fluorophenyl)triazol-4-yl]phenyl]morpholine
CID 71656721
(2R)-2-[4-[1-(4-fluorophenyl)triazol-4-yl]phenyl]morpholine
CID 71656800
4-Phenyl-1-(3-phenylmethoxypropyl)triazole
CID 24789348
(3R,4S,5S,6R)-6-[(1-benzyltriazol-4-yl)methyl]-5-phenylmethoxypiperidine-3,4-diol
CID 118725586
6-[4-[(2S,6S)-6-[[4-[(2S,6S)-6-(4-phenylmethoxybutyl)oxan-2-yl]triazol-1-yl]methyl]oxan-2-yl]butoxy]hexan-1-amine
CID 137638601
4-[(2S,6S)-6-(4-phenylmethoxybutyl)oxan-2-yl]-1-[[(2S,6S)-6-[4-(6-phenylmethoxyhexoxy)butyl]oxan-2-yl]methyl]triazole
CID 137648065
1-Phenylmethoxy-3-[4-[(4-phenylpiperazin-1-yl)methyl]triazol-1-yl]propan-2-ol
CID 46863620
N-(6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-ylmethyl)-2-phenylethanamine
CID 118743033
1-[[(2S,6S)-4-ethoxy-6-(4-phenylmethoxybutyl)oxan-2-yl]methyl]-4-[(2S,6S)-6-(4-phenylmethoxybutyl)oxan-2-yl]triazole
CID 171353173
(+/-)-t-Butyl trans-3-benzyloxy-4-(1-phenethyl-1h-1,2,3-triazol-4-yl)piperidine-1-carboxylate
CID 67987378

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-[1-(2-phenylethyl)triazol-4-yl]-3-phenylmethoxypiperidine?
The IUPAC name of (3S,4S)-4-[1-(2-phenylethyl)triazol-4-yl]-3-phenylmethoxypiperidine (CID 67987394) is (3S,4S)-4-[1-(2-phenylethyl)triazol-4-yl]-3-phenylmethoxypiperidine.
What is the SMILES notation for (3S,4S)-4-[1-(2-phenylethyl)triazol-4-yl]-3-phenylmethoxypiperidine?
The canonical SMILES for (3S,4S)-4-[1-(2-phenylethyl)triazol-4-yl]-3-phenylmethoxypiperidine is c1ccc(CCn2cc([C@@H]3CCNC[C@H]3OCc3ccccc3)nn2)cc1.
What is the InChIKey of (3S,4S)-4-[1-(2-phenylethyl)triazol-4-yl]-3-phenylmethoxypiperidine?
The InChIKey is XVIKUHDQVDPNTG-RBBKRZOGSA-N. The full InChI is InChI=1S/C22H26N4O/c1-3-7-18(8-4-1)12-14-26-16-21(24-25-26)20-11-13-23-15-22(20)27-17-19-9-5-2-6-10-19/h1-10,16,20,22-23H,11-15,17H2/t20-,22+/m0/s1.
What are the key properties of (3S,4S)-4-[1-(2-phenylethyl)triazol-4-yl]-3-phenylmethoxypiperidine?
(3S,4S)-4-[1-(2-phenylethyl)triazol-4-yl]-3-phenylmethoxypiperidine has a molecular weight of 362.48 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-[1-(2-phenylethyl)triazol-4-yl]-3-phenylmethoxypiperidine is sourced from PubChem (CID 67987394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).