(3R,4R)-1-[(1-ethylbenzimidazol-2-yl)methyl]-4-(3-methoxyphenyl)piperidin-3-ol

C22H27N3O2 — CID 133114880

IUPAC(3R,4R)-1-[(1-ethylbenzimidazol-2-yl)methyl]-4-(3-methoxyphenyl)piperidin-3-ol
SMILESCCn1c(CN2CC[C@H](c3cccc(OC)c3)[C@@H](O)C2)nc2ccccc21
InChIInChI=1S/C22H27N3O2/c1-3-25-20-10-5-4-9-19(20)23-22(25)15-24-12-11-18(21(26)14-24)16-7-6-8-17(13-16)27-2/h4-10,13,18,21,26H,3,11-12,14-15H2,1-2H3/t18-,21+/m1/s1
InChIKeyVZLOIDFBCMDDIS-NQIIRXRSSA-N
MW365.48 g/mol
LogP3.42
Rot. Bonds5

About (3R,4R)-1-[(1-ethylbenzimidazol-2-yl)methyl]-4-(3-methoxyphenyl)piperidin-3-ol

(3R,4R)-1-[(1-ethylbenzimidazol-2-yl)methyl]-4-(3-methoxyphenyl)piperidin-3-ol (PubChem CID 133114880) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is (3R,4R)-1-[(1-ethylbenzimidazol-2-yl)methyl]-4-(3-methoxyphenyl)piperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-[(1-ethylbenzimidazol-2-yl)methyl]-4-(3-methoxyphenyl)piperidin-3-ol
PubChem CID133114880
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name(3R,4R)-1-[(1-ethylbenzimidazol-2-yl)methyl]-4-(3-methoxyphenyl)piperidin-3-ol
SMILESCCn1c(CN2CC[C@H](c3cccc(OC)c3)[C@@H](O)C2)nc2ccccc21
InChIInChI=1S/C22H27N3O2/c1-3-25-20-10-5-4-9-19(20)23-22(25)15-24-12-11-18(21(26)14-24)16-7-6-8-17(13-16)27-2/h4-10,13,18,21,26H,3,11-12,14-15H2,1-2H3/t18-,21+/m1/s1
InChIKeyVZLOIDFBCMDDIS-NQIIRXRSSA-N
XLogP3.42
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-4-(3-hydroxyphenyl)piperidin-3-ol;1-benzyl-4-(3-methoxyphenyl)piperidin-3-ol
CID 161060195
(3S,4S)-1-(2,1,3-benzothiadiazol-4-ylmethyl)-4-(3-methoxyphenyl)piperidin-3-ol
CID 50959036
(3R,4R)-4-(3-methoxyphenyl)-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-ol
CID 133115423
(3S,4S)-1-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-4-(3-methoxyphenyl)piperidin-3-ol
CID 50964084
3-[(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide
CID 25285978
(3R,4R)-1-(1H-indol-4-ylmethyl)-4-(3-methoxyphenyl)piperidin-3-ol
CID 164629277
(3R,4R)-1-benzyl-4-(4-methoxyphenyl)piperidin-3-ol
CID 118207526
(3R,4S)-1-[(1-ethylbenzimidazol-2-yl)methyl]-4-phenylpyrrolidine-3-carboxylic acid
CID 166253499
(3R,4R)-1-benzyl-4-(3-phenylmethoxyphenyl)piperidin-3-ol
CID 131850383
4-(4-methoxyphenyl)-1-(pyridin-3-ylmethyl)piperidin-3-ol
CID 649162
1-ethyl-2-[(3-pyrrolidin-1-ylpiperidin-1-yl)methyl]benzimidazole
CID 45204631
1-[(1-propylbenzimidazol-2-yl)methyl]pyrrolidin-3-amine
CID 79753236

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-[(1-ethylbenzimidazol-2-yl)methyl]-4-(3-methoxyphenyl)piperidin-3-ol?
The IUPAC name of (3R,4R)-1-[(1-ethylbenzimidazol-2-yl)methyl]-4-(3-methoxyphenyl)piperidin-3-ol (CID 133114880) is (3R,4R)-1-[(1-ethylbenzimidazol-2-yl)methyl]-4-(3-methoxyphenyl)piperidin-3-ol.
What is the SMILES notation for (3R,4R)-1-[(1-ethylbenzimidazol-2-yl)methyl]-4-(3-methoxyphenyl)piperidin-3-ol?
The canonical SMILES for (3R,4R)-1-[(1-ethylbenzimidazol-2-yl)methyl]-4-(3-methoxyphenyl)piperidin-3-ol is CCn1c(CN2CC[C@H](c3cccc(OC)c3)[C@@H](O)C2)nc2ccccc21.
What is the InChIKey of (3R,4R)-1-[(1-ethylbenzimidazol-2-yl)methyl]-4-(3-methoxyphenyl)piperidin-3-ol?
The InChIKey is VZLOIDFBCMDDIS-NQIIRXRSSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-3-25-20-10-5-4-9-19(20)23-22(25)15-24-12-11-18(21(26)14-24)16-7-6-8-17(13-16)27-2/h4-10,13,18,21,26H,3,11-12,14-15H2,1-2H3/t18-,21+/m1/s1.
What are the key properties of (3R,4R)-1-[(1-ethylbenzimidazol-2-yl)methyl]-4-(3-methoxyphenyl)piperidin-3-ol?
(3R,4R)-1-[(1-ethylbenzimidazol-2-yl)methyl]-4-(3-methoxyphenyl)piperidin-3-ol has a molecular weight of 365.48 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-[(1-ethylbenzimidazol-2-yl)methyl]-4-(3-methoxyphenyl)piperidin-3-ol is sourced from PubChem (CID 133114880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).