(3S)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-3-ol

C14H21NO3 — CID 754063

IUPAC(3S)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-3-ol
SMILESCOc1ccc(CN2CCC[C@H](O)C2)c(OC)c1
InChIInChI=1S/C14H21NO3/c1-17-13-6-5-11(14(8-13)18-2)9-15-7-3-4-12(16)10-15/h5-6,8,12,16H,3-4,7,9-10H2,1-2H3/t12-/m0/s1
InChIKeyUACNZXHUXSAGAV-LBPRGKRZSA-N
MW251.33 g/mol
LogP1.66
Rot. Bonds4

About (3S)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-3-ol

(3S)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-3-ol (PubChem CID 754063) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is (3S)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-3-ol
PubChem CID754063
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name(3S)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-3-ol
SMILESCOc1ccc(CN2CCC[C@H](O)C2)c(OC)c1
InChIInChI=1S/C14H21NO3/c1-17-13-6-5-11(14(8-13)18-2)9-15-7-3-4-12(16)10-15/h5-6,8,12,16H,3-4,7,9-10H2,1-2H3/t12-/m0/s1
InChIKeyUACNZXHUXSAGAV-LBPRGKRZSA-N
XLogP1.66
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,4-dimethoxyphenyl)methyl]-N-methylpiperidin-3-amine;hydrochloride
CID 75493797
(3R)-1-[(2,4-dimethoxyphenyl)methyl]-3-propoxypiperidine
CID 99955836
ethyl (3S)-1-[(2,4-dimethoxyphenyl)methyl]piperidine-3-carboxylate
CID 1377071
(3R)-1-[(2-hydroxy-4-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 103882000
1-[(2,5-dimethoxyphenyl)methyl]azetidin-3-ol
CID 63282227
(3S)-1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 102878603
N-[[1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methyl]ethanamine
CID 63363167
1-[(2,4-dimethoxyphenyl)methyl]-3-ethylpiperidin-4-amine
CID 81457163
1-[(2,4-dimethoxyphenyl)methyl]-N-ethylpyrrolidin-3-amine
CID 63362955
1-[(2,4-dimethoxyphenyl)methyl]-3-propan-2-yl-1,4-diazepane
CID 64949014
1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-3-ol
CID 2838185
1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-ol
CID 24904753

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-3-ol?
The IUPAC name of (3S)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-3-ol (CID 754063) is (3S)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-3-ol.
What is the SMILES notation for (3S)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-3-ol?
The canonical SMILES for (3S)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-3-ol is COc1ccc(CN2CCC[C@H](O)C2)c(OC)c1.
What is the InChIKey of (3S)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-3-ol?
The InChIKey is UACNZXHUXSAGAV-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H21NO3/c1-17-13-6-5-11(14(8-13)18-2)9-15-7-3-4-12(16)10-15/h5-6,8,12,16H,3-4,7,9-10H2,1-2H3/t12-/m0/s1.
What are the key properties of (3S)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-3-ol?
(3S)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-3-ol has a molecular weight of 251.33 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-3-ol is sourced from PubChem (CID 754063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).