carbonic acid;4-(2-chlorophenoxy)piperidine

C12H16ClNO4 — CID 23722971

IUPACcarbonic acid;4-(2-chlorophenoxy)piperidine
SMILESClc1ccccc1OC1CCNCC1.O=C(O)O
InChIInChI=1S/C11H14ClNO.CH2O3/c12-10-3-1-2-4-11(10)14-9-5-7-13-8-6-9;2-1(3)4/h1-4,9,13H,5-8H2;(H2,2,3,4)
InChIKeyRSCVWMNPWCORJY-UHFFFAOYSA-N
MW273.72 g/mol
LogP2.69
Rot. Bonds2

About carbonic acid;4-(2-chlorophenoxy)piperidine

carbonic acid;4-(2-chlorophenoxy)piperidine (PubChem CID 23722971) has the molecular formula C12H16ClNO4 and a molecular weight of 273.72 g/mol. Its IUPAC name is carbonic acid;4-(2-chlorophenoxy)piperidine.

Molecular Properties

Compound Namecarbonic acid;4-(2-chlorophenoxy)piperidine
PubChem CID23722971
Molecular FormulaC12H16ClNO4
Molecular Weight273.72 g/mol
Exact Mass273.08
IUPAC Namecarbonic acid;4-(2-chlorophenoxy)piperidine
SMILESClc1ccccc1OC1CCNCC1.O=C(O)O
InChIInChI=1S/C11H14ClNO.CH2O3/c12-10-3-1-2-4-11(10)14-9-5-7-13-8-6-9;2-1(3)4/h1-4,9,13H,5-8H2;(H2,2,3,4)
InChIKeyRSCVWMNPWCORJY-UHFFFAOYSA-N
XLogP2.69
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-6-piperidin-4-yloxybenzamide
CID 62497560
1-(3-chloro-4-piperidin-4-yloxyphenyl)ethanone
CID 20735197
3-(2-chlorophenoxy)azetidine;hydrochloride
CID 66591566
1-(2-chlorophenyl)-2-piperidin-4-yloxyethanone
CID 116570961
2-chloro-6-piperidin-4-yloxybenzonitrile
CID 62497393
piperidin-4-yl N-(2-chlorophenyl)carbamate
CID 20735403
2-[4-(2-chlorophenoxy)piperidin-1-yl]-2-oxoacetamide
CID 66875568
1-[4-(2-chlorophenoxy)piperidin-1-yl]-2-hydroxy-2-phenylethanone
CID 70718116
benzyl 2-(2-piperidin-4-yloxyphenyl)acetate
CID 71586471
(2S)-1-[4-(2-chlorophenoxy)piperidin-1-yl]-2-hydroxy-2-phenylethanone
CID 95861244
4-(2-chloro-3-fluorophenoxy)piperidine
CID 154662449
2-chloro-N,N-diethyl-6-piperidin-4-yloxyaniline
CID 142482877

Frequently Asked Questions

What is the IUPAC name of carbonic acid;4-(2-chlorophenoxy)piperidine?
The IUPAC name of carbonic acid;4-(2-chlorophenoxy)piperidine (CID 23722971) is carbonic acid;4-(2-chlorophenoxy)piperidine.
What is the SMILES notation for carbonic acid;4-(2-chlorophenoxy)piperidine?
The canonical SMILES for carbonic acid;4-(2-chlorophenoxy)piperidine is Clc1ccccc1OC1CCNCC1.O=C(O)O.
What is the InChIKey of carbonic acid;4-(2-chlorophenoxy)piperidine?
The InChIKey is RSCVWMNPWCORJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO.CH2O3/c12-10-3-1-2-4-11(10)14-9-5-7-13-8-6-9;2-1(3)4/h1-4,9,13H,5-8H2;(H2,2,3,4).
What are the key properties of carbonic acid;4-(2-chlorophenoxy)piperidine?
carbonic acid;4-(2-chlorophenoxy)piperidine has a molecular weight of 273.72 g/mol, XLogP of 2.69, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;4-(2-chlorophenoxy)piperidine is sourced from PubChem (CID 23722971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).