2-[(3-chloro-2-fluorophenyl)-[(3R)-piperidin-3-yl]methoxy]ethylcarbamic acid

C15H20ClFN2O3 — CID 68711452

IUPAC2-[(3-chloro-2-fluorophenyl)-[(3R)-piperidin-3-yl]methoxy]ethylcarbamic acid
SMILESO=C(O)NCCOC(c1cccc(Cl)c1F)[C@@H]1CCCNC1
InChIInChI=1S/C15H20ClFN2O3/c16-12-5-1-4-11(13(12)17)14(10-3-2-6-18-9-10)22-8-7-19-15(20)21/h1,4-5,10,14,18-19H,2-3,6-9H2,(H,20,21)/t10-,14?/m1/s1
InChIKeyRGLFIGGDJIPGQB-IAPIXIRKSA-N
MW330.79 g/mol
LogP2.80
Rot. Bonds6

About 2-[(3-chloro-2-fluorophenyl)-[(3R)-piperidin-3-yl]methoxy]ethylcarbamic acid

2-[(3-chloro-2-fluorophenyl)-[(3R)-piperidin-3-yl]methoxy]ethylcarbamic acid (PubChem CID 68711452) has the molecular formula C15H20ClFN2O3 and a molecular weight of 330.79 g/mol. Its IUPAC name is 2-[(3-chloro-2-fluorophenyl)-[(3R)-piperidin-3-yl]methoxy]ethylcarbamic acid.

Molecular Properties

Compound Name2-[(3-chloro-2-fluorophenyl)-[(3R)-piperidin-3-yl]methoxy]ethylcarbamic acid
PubChem CID68711452
Molecular FormulaC15H20ClFN2O3
Molecular Weight330.79 g/mol
Exact Mass330.11
IUPAC Name2-[(3-chloro-2-fluorophenyl)-[(3R)-piperidin-3-yl]methoxy]ethylcarbamic acid
SMILESO=C(O)NCCOC(c1cccc(Cl)c1F)[C@@H]1CCCNC1
InChIInChI=1S/C15H20ClFN2O3/c16-12-5-1-4-11(13(12)17)14(10-3-2-6-18-9-10)22-8-7-19-15(20)21/h1,4-5,10,14,18-19H,2-3,6-9H2,(H,20,21)/t10-,14?/m1/s1
InChIKeyRGLFIGGDJIPGQB-IAPIXIRKSA-N
XLogP2.80
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.79
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl N-[2-[(2,3-difluorophenyl)-piperidin-3-ylmethoxy]ethyl]carbamate
CID 68715059
2-[(3-fluorophenyl)-[(3R)-piperidin-3-yl]methoxy]ethylcarbamic acid
CID 68715376
2-[(2,3-difluorophenyl)-piperidin-3-ylmethoxy]ethanol
CID 70639511
methyl N-[2-[(R)-(5-chloro-2-methylphenyl)-[(3R)-piperidin-3-yl]methoxy]ethyl]carbamate;2,2,2-trifluoroacetic acid
CID 68954194
methyl N-[2-[(R)-(3-chloro-2-fluorophenyl)-[(3R)-1-[[(3S,4R)-4-(2-methylpropyl)piperidin-3-yl]carbamoyl]piperidin-3-yl]methoxy]ethyl]carbamate
CID 59201723
methyl N-[2-[(R)-(3,5-dimethylphenyl)-piperidin-3-ylmethoxy]ethyl]carbamate
CID 141177757
2-[(S)-(3-chloro-2-fluorophenyl)-[(2R)-4-[[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]carbamoyl]morpholin-2-yl]methoxy]ethylcarbamic acid
CID 68716621
N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119900701
[3-(3-chloro-2-fluorophenyl)-3-hydroxypropyl]carbamic acid
CID 71254848
methyl N-[2-[(R)-[(3R)-1-[(2-amino-3-cyclohexylpropyl)carbamoyl]piperidin-3-yl]-(3-chloro-2-fluorophenyl)methoxy]ethyl]carbamate
CID 59201380
tert-butyl 3-[(3-chloro-2-fluorophenyl)-(2-hydroxyethoxy)methyl]piperidine-1-carboxylate
CID 67191107
N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]piperidine-3-carboxamide
CID 119900670

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-fluorophenyl)-[(3R)-piperidin-3-yl]methoxy]ethylcarbamic acid?
The IUPAC name of 2-[(3-chloro-2-fluorophenyl)-[(3R)-piperidin-3-yl]methoxy]ethylcarbamic acid (CID 68711452) is 2-[(3-chloro-2-fluorophenyl)-[(3R)-piperidin-3-yl]methoxy]ethylcarbamic acid.
What is the SMILES notation for 2-[(3-chloro-2-fluorophenyl)-[(3R)-piperidin-3-yl]methoxy]ethylcarbamic acid?
The canonical SMILES for 2-[(3-chloro-2-fluorophenyl)-[(3R)-piperidin-3-yl]methoxy]ethylcarbamic acid is O=C(O)NCCOC(c1cccc(Cl)c1F)[C@@H]1CCCNC1.
What is the InChIKey of 2-[(3-chloro-2-fluorophenyl)-[(3R)-piperidin-3-yl]methoxy]ethylcarbamic acid?
The InChIKey is RGLFIGGDJIPGQB-IAPIXIRKSA-N. The full InChI is InChI=1S/C15H20ClFN2O3/c16-12-5-1-4-11(13(12)17)14(10-3-2-6-18-9-10)22-8-7-19-15(20)21/h1,4-5,10,14,18-19H,2-3,6-9H2,(H,20,21)/t10-,14?/m1/s1.
What are the key properties of 2-[(3-chloro-2-fluorophenyl)-[(3R)-piperidin-3-yl]methoxy]ethylcarbamic acid?
2-[(3-chloro-2-fluorophenyl)-[(3R)-piperidin-3-yl]methoxy]ethylcarbamic acid has a molecular weight of 330.79 g/mol, XLogP of 2.80, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-fluorophenyl)-[(3R)-piperidin-3-yl]methoxy]ethylcarbamic acid is sourced from PubChem (CID 68711452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).