(3R,4R)-4-(2-hydroxyethylamino)-1-[(4-methoxyphenyl)methyl]piperidin-3-ol;dihydrochloride

C15H26Cl2N2O3 — CID 175654410

IUPAC(3R,4R)-4-(2-hydroxyethylamino)-1-[(4-methoxyphenyl)methyl]piperidin-3-ol;dihydrochloride
SMILESCOc1ccc(CN2CC[C@@H](NCCO)[C@H](O)C2)cc1.Cl.Cl
InChIInChI=1S/C15H24N2O3.2ClH/c1-20-13-4-2-12(3-5-13)10-17-8-6-14(15(19)11-17)16-7-9-18;;/h2-5,14-16,18-19H,6-11H2,1H3;2*1H/t14-,15-;;/m1../s1
InChIKeyVAFZZPKGBAOEQD-FXUMYAARSA-N
MW353.29 g/mol
LogP1.06
Rot. Bonds6

About (3R,4R)-4-(2-hydroxyethylamino)-1-[(4-methoxyphenyl)methyl]piperidin-3-ol;dihydrochloride

(3R,4R)-4-(2-hydroxyethylamino)-1-[(4-methoxyphenyl)methyl]piperidin-3-ol;dihydrochloride (PubChem CID 175654410) has the molecular formula C15H26Cl2N2O3 and a molecular weight of 353.29 g/mol. Its IUPAC name is (3R,4R)-4-(2-hydroxyethylamino)-1-[(4-methoxyphenyl)methyl]piperidin-3-ol;dihydrochloride.

Molecular Properties

Compound Name(3R,4R)-4-(2-hydroxyethylamino)-1-[(4-methoxyphenyl)methyl]piperidin-3-ol;dihydrochloride
PubChem CID175654410
Molecular FormulaC15H26Cl2N2O3
Molecular Weight353.29 g/mol
Exact Mass352.13
IUPAC Name(3R,4R)-4-(2-hydroxyethylamino)-1-[(4-methoxyphenyl)methyl]piperidin-3-ol;dihydrochloride
SMILESCOc1ccc(CN2CC[C@@H](NCCO)[C@H](O)C2)cc1.Cl.Cl
InChIInChI=1S/C15H24N2O3.2ClH/c1-20-13-4-2-12(3-5-13)10-17-8-6-14(15(19)11-17)16-7-9-18;;/h2-5,14-16,18-19H,6-11H2,1H3;2*1H/t14-,15-;;/m1../s1
InChIKeyVAFZZPKGBAOEQD-FXUMYAARSA-N
XLogP1.06
TPSA64.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.29
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,4R)-1-[(4-fluorophenyl)methyl]-4-(2-hydroxyethylamino)piperidin-3-ol
CID 46953227
(3R,4R)-1-[(3-fluorophenyl)methyl]-4-(2-hydroxyethylamino)piperidin-3-ol;dihydrochloride
CID 175654370
N,3-diethyl-1-[(4-methoxyphenyl)methyl]piperidin-4-amine
CID 114507320
2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanol
CID 10562587
(3R,4R)-1-[(3,4-difluorophenyl)methyl]-4-(2-methoxyethylamino)piperidin-3-ol
CID 46960615
N-[[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]ethanamine
CID 55083146
(3R,4R)-1-benzyl-4-(4-methoxyphenyl)piperidin-3-ol
CID 118207526
3-(chloromethyl)-1-[(4-methoxyphenyl)methyl]pyrrolidine
CID 63388374
[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanol
CID 54793850
[(3S)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanol
CID 95165485
methyl 2-[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]acetate
CID 83980671
methyl 1-[(4-methoxyphenyl)methyl]piperidine-3-carboxylate;hydrochloride
CID 14181476

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(2-hydroxyethylamino)-1-[(4-methoxyphenyl)methyl]piperidin-3-ol;dihydrochloride?
The IUPAC name of (3R,4R)-4-(2-hydroxyethylamino)-1-[(4-methoxyphenyl)methyl]piperidin-3-ol;dihydrochloride (CID 175654410) is (3R,4R)-4-(2-hydroxyethylamino)-1-[(4-methoxyphenyl)methyl]piperidin-3-ol;dihydrochloride.
What is the SMILES notation for (3R,4R)-4-(2-hydroxyethylamino)-1-[(4-methoxyphenyl)methyl]piperidin-3-ol;dihydrochloride?
The canonical SMILES for (3R,4R)-4-(2-hydroxyethylamino)-1-[(4-methoxyphenyl)methyl]piperidin-3-ol;dihydrochloride is COc1ccc(CN2CC[C@@H](NCCO)[C@H](O)C2)cc1.Cl.Cl.
What is the InChIKey of (3R,4R)-4-(2-hydroxyethylamino)-1-[(4-methoxyphenyl)methyl]piperidin-3-ol;dihydrochloride?
The InChIKey is VAFZZPKGBAOEQD-FXUMYAARSA-N. The full InChI is InChI=1S/C15H24N2O3.2ClH/c1-20-13-4-2-12(3-5-13)10-17-8-6-14(15(19)11-17)16-7-9-18;;/h2-5,14-16,18-19H,6-11H2,1H3;2*1H/t14-,15-;;/m1../s1.
What are the key properties of (3R,4R)-4-(2-hydroxyethylamino)-1-[(4-methoxyphenyl)methyl]piperidin-3-ol;dihydrochloride?
(3R,4R)-4-(2-hydroxyethylamino)-1-[(4-methoxyphenyl)methyl]piperidin-3-ol;dihydrochloride has a molecular weight of 353.29 g/mol, XLogP of 1.06, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(2-hydroxyethylamino)-1-[(4-methoxyphenyl)methyl]piperidin-3-ol;dihydrochloride is sourced from PubChem (CID 175654410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).