(3R,4R)-1-[(3,5-dichloro-2-methoxyphenyl)methyl]-4-(hydroxymethyl)piperidin-3-ol

C14H19Cl2NO3 — CID 155493220

IUPAC(3R,4R)-1-[(3,5-dichloro-2-methoxyphenyl)methyl]-4-(hydroxymethyl)piperidin-3-ol
SMILESCOc1c(Cl)cc(Cl)cc1CN1CC[C@H](CO)[C@@H](O)C1
InChIInChI=1S/C14H19Cl2NO3/c1-20-14-10(4-11(15)5-12(14)16)6-17-3-2-9(8-18)13(19)7-17/h4-5,9,13,18-19H,2-3,6-8H2,1H3/t9-,13+/m1/s1
InChIKeyFLSSOAWRLMSSIE-RNCFNFMXSA-N
MW320.22 g/mol
LogP2.18
Rot. Bonds4

About (3R,4R)-1-[(3,5-dichloro-2-methoxyphenyl)methyl]-4-(hydroxymethyl)piperidin-3-ol

(3R,4R)-1-[(3,5-dichloro-2-methoxyphenyl)methyl]-4-(hydroxymethyl)piperidin-3-ol (PubChem CID 155493220) has the molecular formula C14H19Cl2NO3 and a molecular weight of 320.22 g/mol. Its IUPAC name is (3R,4R)-1-[(3,5-dichloro-2-methoxyphenyl)methyl]-4-(hydroxymethyl)piperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-[(3,5-dichloro-2-methoxyphenyl)methyl]-4-(hydroxymethyl)piperidin-3-ol
PubChem CID155493220
Molecular FormulaC14H19Cl2NO3
Molecular Weight320.22 g/mol
Exact Mass319.07
IUPAC Name(3R,4R)-1-[(3,5-dichloro-2-methoxyphenyl)methyl]-4-(hydroxymethyl)piperidin-3-ol
SMILESCOc1c(Cl)cc(Cl)cc1CN1CC[C@H](CO)[C@@H](O)C1
InChIInChI=1S/C14H19Cl2NO3/c1-20-14-10(4-11(15)5-12(14)16)6-17-3-2-9(8-18)13(19)7-17/h4-5,9,13,18-19H,2-3,6-8H2,1H3/t9-,13+/m1/s1
InChIKeyFLSSOAWRLMSSIE-RNCFNFMXSA-N
XLogP2.18
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.22
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(3,5-dichloro-2-methoxyphenyl)methyl]pyrrolidin-3-yl]ethanol
CID 110022533
1-[(3,5-dichloro-2-methoxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 75438342
1-[(3S)-1-[(3,5-dichloro-2-methoxyphenyl)methyl]pyrrolidin-3-yl]-4-methylpiperazine
CID 99936854
(3S,4R)-1-[(4-chloro-2-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-3-ol
CID 134714356
(3S,4R)-1-[(3,5-dichloro-2-methoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol
CID 134706285
(3S,4R)-4-(hydroxymethyl)-1-[(2-methoxy-5-propan-2-ylphenyl)methyl]piperidin-3-ol
CID 56887437
(3R,4R)-1-[(3,4-dimethoxyphenyl)methyl]-4-(hydroxymethyl)piperidin-3-ol
CID 155492053
1-[(6S)-4-[(3,5-dichloro-2-methoxyphenyl)methyl]-1,4-oxazepan-6-yl]-N,N-dimethylmethanamine
CID 95728687
1-[(3-chloro-2-methoxy-5-methylphenyl)methyl]piperidine-3-carboxylic acid
CID 5182680
(3R,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-ol
CID 15450831
(3R,4R)-4-(hydroxymethyl)-1-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]piperidin-3-ol
CID 134714483
1-benzyl-3-[(3,5-dichloro-2,4-dimethoxyphenyl)methyl]piperidin-4-ol
CID 110531863

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-[(3,5-dichloro-2-methoxyphenyl)methyl]-4-(hydroxymethyl)piperidin-3-ol?
The IUPAC name of (3R,4R)-1-[(3,5-dichloro-2-methoxyphenyl)methyl]-4-(hydroxymethyl)piperidin-3-ol (CID 155493220) is (3R,4R)-1-[(3,5-dichloro-2-methoxyphenyl)methyl]-4-(hydroxymethyl)piperidin-3-ol.
What is the SMILES notation for (3R,4R)-1-[(3,5-dichloro-2-methoxyphenyl)methyl]-4-(hydroxymethyl)piperidin-3-ol?
The canonical SMILES for (3R,4R)-1-[(3,5-dichloro-2-methoxyphenyl)methyl]-4-(hydroxymethyl)piperidin-3-ol is COc1c(Cl)cc(Cl)cc1CN1CC[C@H](CO)[C@@H](O)C1.
What is the InChIKey of (3R,4R)-1-[(3,5-dichloro-2-methoxyphenyl)methyl]-4-(hydroxymethyl)piperidin-3-ol?
The InChIKey is FLSSOAWRLMSSIE-RNCFNFMXSA-N. The full InChI is InChI=1S/C14H19Cl2NO3/c1-20-14-10(4-11(15)5-12(14)16)6-17-3-2-9(8-18)13(19)7-17/h4-5,9,13,18-19H,2-3,6-8H2,1H3/t9-,13+/m1/s1.
What are the key properties of (3R,4R)-1-[(3,5-dichloro-2-methoxyphenyl)methyl]-4-(hydroxymethyl)piperidin-3-ol?
(3R,4R)-1-[(3,5-dichloro-2-methoxyphenyl)methyl]-4-(hydroxymethyl)piperidin-3-ol has a molecular weight of 320.22 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-[(3,5-dichloro-2-methoxyphenyl)methyl]-4-(hydroxymethyl)piperidin-3-ol is sourced from PubChem (CID 155493220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).