3-[(3R)-1-[(5-chloro-2-fluorophenyl)methyl]piperidin-3-yl]propan-1-ol

C15H21ClFNO — CID 99943301

IUPAC3-[(3R)-1-[(5-chloro-2-fluorophenyl)methyl]piperidin-3-yl]propan-1-ol
SMILESOCCC[C@H]1CCCN(Cc2cc(Cl)ccc2F)C1
InChIInChI=1S/C15H21ClFNO/c16-14-5-6-15(17)13(9-14)11-18-7-1-3-12(10-18)4-2-8-19/h5-6,9,12,19H,1-4,7-8,10-11H2/t12-/m1/s1
InChIKeyRWRAGRTWSLYURR-GFCCVEGCSA-N
MW285.79 g/mol
LogP3.46
Rot. Bonds5

About 3-[(3R)-1-[(5-chloro-2-fluorophenyl)methyl]piperidin-3-yl]propan-1-ol

3-[(3R)-1-[(5-chloro-2-fluorophenyl)methyl]piperidin-3-yl]propan-1-ol (PubChem CID 99943301) has the molecular formula C15H21ClFNO and a molecular weight of 285.79 g/mol. Its IUPAC name is 3-[(3R)-1-[(5-chloro-2-fluorophenyl)methyl]piperidin-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-[(3R)-1-[(5-chloro-2-fluorophenyl)methyl]piperidin-3-yl]propan-1-ol
PubChem CID99943301
Molecular FormulaC15H21ClFNO
Molecular Weight285.79 g/mol
Exact Mass285.13
IUPAC Name3-[(3R)-1-[(5-chloro-2-fluorophenyl)methyl]piperidin-3-yl]propan-1-ol
SMILESOCCC[C@H]1CCCN(Cc2cc(Cl)ccc2F)C1
InChIInChI=1S/C15H21ClFNO/c16-14-5-6-15(17)13(9-14)11-18-7-1-3-12(10-18)4-2-8-19/h5-6,9,12,19H,1-4,7-8,10-11H2/t12-/m1/s1
InChIKeyRWRAGRTWSLYURR-GFCCVEGCSA-N
XLogP3.46
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.79
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(5-chloro-2-fluorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728723
4-fluoro-3-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]benzonitrile
CID 62355947
1-[(5-chloro-2-fluorophenyl)methyl]-N'-hydroxypiperidine-3-carboximidamide
CID 103046735
2-[1-[(2,5-dichlorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728466
3-(2-bromoethyl)-1-[(2,5-dichlorophenyl)methyl]piperidine
CID 80690764
[1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]methanol
CID 60670160
[1-[[5-(aminomethyl)-2-fluorophenyl]methyl]piperidin-3-yl]methanol
CID 43590160
3-(chloromethyl)-1-[(2,5-dichlorophenyl)methyl]piperidine
CID 65318449
4-fluoro-3-[[3-(hydroxymethyl)piperidin-1-yl]methyl]benzonitrile
CID 43403794
[1-[(2,5-dichlorophenyl)methyl]piperidin-3-yl]methanamine
CID 65318797
1-[(5-chloro-2-fluorophenyl)methyl]-3-(chloromethyl)azetidine
CID 130531144
2-[1-[(4-chloro-2-methylphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728637

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-[(5-chloro-2-fluorophenyl)methyl]piperidin-3-yl]propan-1-ol?
The IUPAC name of 3-[(3R)-1-[(5-chloro-2-fluorophenyl)methyl]piperidin-3-yl]propan-1-ol (CID 99943301) is 3-[(3R)-1-[(5-chloro-2-fluorophenyl)methyl]piperidin-3-yl]propan-1-ol.
What is the SMILES notation for 3-[(3R)-1-[(5-chloro-2-fluorophenyl)methyl]piperidin-3-yl]propan-1-ol?
The canonical SMILES for 3-[(3R)-1-[(5-chloro-2-fluorophenyl)methyl]piperidin-3-yl]propan-1-ol is OCCC[C@H]1CCCN(Cc2cc(Cl)ccc2F)C1.
What is the InChIKey of 3-[(3R)-1-[(5-chloro-2-fluorophenyl)methyl]piperidin-3-yl]propan-1-ol?
The InChIKey is RWRAGRTWSLYURR-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21ClFNO/c16-14-5-6-15(17)13(9-14)11-18-7-1-3-12(10-18)4-2-8-19/h5-6,9,12,19H,1-4,7-8,10-11H2/t12-/m1/s1.
What are the key properties of 3-[(3R)-1-[(5-chloro-2-fluorophenyl)methyl]piperidin-3-yl]propan-1-ol?
3-[(3R)-1-[(5-chloro-2-fluorophenyl)methyl]piperidin-3-yl]propan-1-ol has a molecular weight of 285.79 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1-[(5-chloro-2-fluorophenyl)methyl]piperidin-3-yl]propan-1-ol is sourced from PubChem (CID 99943301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).