2-chloro-4-[[3-(dimethylamino)piperidin-1-yl]methyl]-6-methoxyphenol

C15H23ClN2O2 — CID 82983112

IUPAC2-chloro-4-[[3-(dimethylamino)piperidin-1-yl]methyl]-6-methoxyphenol
SMILESCOc1cc(CN2CCCC(N(C)C)C2)cc(Cl)c1O
InChIInChI=1S/C15H23ClN2O2/c1-17(2)12-5-4-6-18(10-12)9-11-7-13(16)15(19)14(8-11)20-3/h7-8,12,19H,4-6,9-10H2,1-3H3
InChIKeyPRQZHGJTMOJMGB-UHFFFAOYSA-N
MW298.81 g/mol
LogP2.58
Rot. Bonds4

About 2-chloro-4-[[3-(dimethylamino)piperidin-1-yl]methyl]-6-methoxyphenol

2-chloro-4-[[3-(dimethylamino)piperidin-1-yl]methyl]-6-methoxyphenol (PubChem CID 82983112) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 2-chloro-4-[[3-(dimethylamino)piperidin-1-yl]methyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-chloro-4-[[3-(dimethylamino)piperidin-1-yl]methyl]-6-methoxyphenol
PubChem CID82983112
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name2-chloro-4-[[3-(dimethylamino)piperidin-1-yl]methyl]-6-methoxyphenol
SMILESCOc1cc(CN2CCCC(N(C)C)C2)cc(Cl)c1O
InChIInChI=1S/C15H23ClN2O2/c1-17(2)12-5-4-6-18(10-12)9-11-7-13(16)15(19)14(8-11)20-3/h7-8,12,19H,4-6,9-10H2,1-3H3
InChIKeyPRQZHGJTMOJMGB-UHFFFAOYSA-N
XLogP2.58
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[(3S)-1-[(3-chloro-4-hydroxy-5-methoxyphenyl)methyl]piperidin-3-yl]piperazine-1-carboxylate
CID 30727989
2-[[3-(dimethylamino)piperidin-1-yl]methyl]-6-methoxyphenol
CID 82983581
(3R)-1-[(3-fluoro-4-methoxyphenyl)methyl]-N,N-dimethylpiperidin-3-amine
CID 97314808
2-chloro-6-methoxy-4-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenol
CID 82981276
[(3S)-1-[(3-chloro-4-hydroxy-5-methoxyphenyl)methyl]piperidin-3-yl]-(3-chlorophenyl)methanone
CID 26328496
2-chloro-6-methoxy-4-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]phenol
CID 56885233
2-chloro-4-[[(3R)-3-(3-fluoroanilino)piperidin-1-yl]methyl]-6-methoxyphenol
CID 25378499
[(3R)-1-[(3-chloro-4-hydroxy-5-methoxyphenyl)methyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone
CID 26336876
2-chloro-4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-6-methoxyphenol
CID 82977569
2-chloro-6-methoxy-4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenol
CID 82979703
2-[[3-(dimethylamino)piperidin-1-yl]methyl]-4-methoxyphenol
CID 82983035
4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylmethyl)-2-bromo-6-methoxyphenol
CID 82964358

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[3-(dimethylamino)piperidin-1-yl]methyl]-6-methoxyphenol?
The IUPAC name of 2-chloro-4-[[3-(dimethylamino)piperidin-1-yl]methyl]-6-methoxyphenol (CID 82983112) is 2-chloro-4-[[3-(dimethylamino)piperidin-1-yl]methyl]-6-methoxyphenol.
What is the SMILES notation for 2-chloro-4-[[3-(dimethylamino)piperidin-1-yl]methyl]-6-methoxyphenol?
The canonical SMILES for 2-chloro-4-[[3-(dimethylamino)piperidin-1-yl]methyl]-6-methoxyphenol is COc1cc(CN2CCCC(N(C)C)C2)cc(Cl)c1O.
What is the InChIKey of 2-chloro-4-[[3-(dimethylamino)piperidin-1-yl]methyl]-6-methoxyphenol?
The InChIKey is PRQZHGJTMOJMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-17(2)12-5-4-6-18(10-12)9-11-7-13(16)15(19)14(8-11)20-3/h7-8,12,19H,4-6,9-10H2,1-3H3.
What are the key properties of 2-chloro-4-[[3-(dimethylamino)piperidin-1-yl]methyl]-6-methoxyphenol?
2-chloro-4-[[3-(dimethylamino)piperidin-1-yl]methyl]-6-methoxyphenol has a molecular weight of 298.81 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[3-(dimethylamino)piperidin-1-yl]methyl]-6-methoxyphenol is sourced from PubChem (CID 82983112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).