4-(3-chlorophenoxy)piperidine-1-carboxylic acid

C12H14ClNO3 — CID 22353407

IUPAC4-(3-chlorophenoxy)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(Oc2cccc(Cl)c2)CC1
InChIInChI=1S/C12H14ClNO3/c13-9-2-1-3-11(8-9)17-10-4-6-14(7-5-10)12(15)16/h1-3,8,10H,4-7H2,(H,15,16)
InChIKeyMAJVWFRBOKEQNO-UHFFFAOYSA-N
MW255.70 g/mol
LogP2.86
Rot. Bonds2

About 4-(3-chlorophenoxy)piperidine-1-carboxylic acid

4-(3-chlorophenoxy)piperidine-1-carboxylic acid (PubChem CID 22353407) has the molecular formula C12H14ClNO3 and a molecular weight of 255.70 g/mol. Its IUPAC name is 4-(3-chlorophenoxy)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(3-chlorophenoxy)piperidine-1-carboxylic acid
PubChem CID22353407
Molecular FormulaC12H14ClNO3
Molecular Weight255.70 g/mol
Exact Mass255.07
IUPAC Name4-(3-chlorophenoxy)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(Oc2cccc(Cl)c2)CC1
InChIInChI=1S/C12H14ClNO3/c13-9-2-1-3-11(8-9)17-10-4-6-14(7-5-10)12(15)16/h1-3,8,10H,4-7H2,(H,15,16)
InChIKeyMAJVWFRBOKEQNO-UHFFFAOYSA-N
XLogP2.86
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(3-chlorophenoxy)piperidin-1-yl]-2-cyclopropylpropan-1-one
CID 110611152
2-[3-(3-chlorophenoxy)pyrrolidine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120977338
4-(4-chloro-3-hydroxyphenoxy)piperidine-1-carboxylic acid
CID 135387758
4-naphthalen-2-yloxypiperidine-1-carboxylic acid
CID 18423340
3-(3-chlorophenoxy)azetidine-1-carbonyl chloride
CID 15042230
3-[4-(aminomethyl)phenyl]-1-[4-(3-chlorophenoxy)piperidin-1-yl]propan-1-one;hydrochloride
CID 157440042
4-(3-chlorophenoxy)-N-(3-methylbutyl)piperidine-1-carboxamide
CID 110356943
1-(benzenesulfonyl)-4-(3-chlorophenoxy)piperidine
CID 110358894
1-[4-(3-chlorophenoxy)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 110356932
1-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120705467
4-[(6-chloro-2-pyridinyl)oxy]piperidine-1-carboxylic acid
CID 87802411
4-[(2-oxo-1H-pyridin-4-yl)oxy]piperidine-1-carboxylic acid
CID 91402575

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenoxy)piperidine-1-carboxylic acid?
The IUPAC name of 4-(3-chlorophenoxy)piperidine-1-carboxylic acid (CID 22353407) is 4-(3-chlorophenoxy)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(3-chlorophenoxy)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(3-chlorophenoxy)piperidine-1-carboxylic acid is O=C(O)N1CCC(Oc2cccc(Cl)c2)CC1.
What is the InChIKey of 4-(3-chlorophenoxy)piperidine-1-carboxylic acid?
The InChIKey is MAJVWFRBOKEQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO3/c13-9-2-1-3-11(8-9)17-10-4-6-14(7-5-10)12(15)16/h1-3,8,10H,4-7H2,(H,15,16).
What are the key properties of 4-(3-chlorophenoxy)piperidine-1-carboxylic acid?
4-(3-chlorophenoxy)piperidine-1-carboxylic acid has a molecular weight of 255.70 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenoxy)piperidine-1-carboxylic acid is sourced from PubChem (CID 22353407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).