1-[(4-chloro-2-fluorophenyl)methyl]-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol

C16H23ClFNO2 — CID 156606525

IUPAC1-[(4-chloro-2-fluorophenyl)methyl]-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol
SMILESCOCC1(O)CCN(Cc2ccc(Cl)cc2F)CC1(C)C
InChIInChI=1S/C16H23ClFNO2/c1-15(2)10-19(7-6-16(15,20)11-21-3)9-12-4-5-13(17)8-14(12)18/h4-5,8,20H,6-7,9-11H2,1-3H3
InChIKeyIESWCZISGAVNPO-UHFFFAOYSA-N
MW315.82 g/mol
LogP3.09
Rot. Bonds4

About 1-[(4-chloro-2-fluorophenyl)methyl]-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol

1-[(4-chloro-2-fluorophenyl)methyl]-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol (PubChem CID 156606525) has the molecular formula C16H23ClFNO2 and a molecular weight of 315.82 g/mol. Its IUPAC name is 1-[(4-chloro-2-fluorophenyl)methyl]-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol.

Molecular Properties

Compound Name1-[(4-chloro-2-fluorophenyl)methyl]-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol
PubChem CID156606525
Molecular FormulaC16H23ClFNO2
Molecular Weight315.82 g/mol
Exact Mass315.14
IUPAC Name1-[(4-chloro-2-fluorophenyl)methyl]-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol
SMILESCOCC1(O)CCN(Cc2ccc(Cl)cc2F)CC1(C)C
InChIInChI=1S/C16H23ClFNO2/c1-15(2)10-19(7-6-16(15,20)11-21-3)9-12-4-5-13(17)8-14(12)18/h4-5,8,20H,6-7,9-11H2,1-3H3
InChIKeyIESWCZISGAVNPO-UHFFFAOYSA-N
XLogP3.09
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.82
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-1-[(4-chloro-2-fluorophenyl)methyl]-3-methylpyrrolidin-3-yl]methanol
CID 100638368
1-[(4-chloro-2-fluorophenyl)methyl]-4-methylazepan-4-ol
CID 107408211
(4S)-N-[(2,4-dichlorophenyl)methyl]-4-hydroxy-4-(methoxymethyl)-3,3-dimethylpiperidine-1-carboxamide
CID 72854525
2-(2-chloro-4-fluorophenyl)-1-[(4S)-4-hydroxy-4-(methoxymethyl)-3,3-dimethylpiperidin-1-yl]ethanone
CID 70714801
1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol
CID 156606937
3-[(4-chloro-2-fluorophenyl)methyl]-1-methylpiperidin-3-ol
CID 114852550
(4S)-1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol
CID 72921823
8-[(4-chloro-2-fluorophenyl)methyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70788705
2-[(4-chloro-2-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908384
1-[(4-chloro-2-fluorophenyl)methyl]-3,3-diethylpiperazine
CID 114860293
[1-[(4-chloro-2-fluorophenyl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol
CID 91767002
(4S)-4-(methoxymethyl)-3,3-dimethyl-1-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]piperidin-4-ol
CID 72902481

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-2-fluorophenyl)methyl]-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol?
The IUPAC name of 1-[(4-chloro-2-fluorophenyl)methyl]-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol (CID 156606525) is 1-[(4-chloro-2-fluorophenyl)methyl]-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol.
What is the SMILES notation for 1-[(4-chloro-2-fluorophenyl)methyl]-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol?
The canonical SMILES for 1-[(4-chloro-2-fluorophenyl)methyl]-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol is COCC1(O)CCN(Cc2ccc(Cl)cc2F)CC1(C)C.
What is the InChIKey of 1-[(4-chloro-2-fluorophenyl)methyl]-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol?
The InChIKey is IESWCZISGAVNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClFNO2/c1-15(2)10-19(7-6-16(15,20)11-21-3)9-12-4-5-13(17)8-14(12)18/h4-5,8,20H,6-7,9-11H2,1-3H3.
What are the key properties of 1-[(4-chloro-2-fluorophenyl)methyl]-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol?
1-[(4-chloro-2-fluorophenyl)methyl]-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol has a molecular weight of 315.82 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-2-fluorophenyl)methyl]-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol is sourced from PubChem (CID 156606525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).