(3R)-3-(4-chloro-2-propan-2-ylphenoxy)piperidine

C14H20ClNO — CID 86322323

IUPAC(3R)-3-(4-chloro-2-propan-2-ylphenoxy)piperidine
SMILESCC(C)c1cc(Cl)ccc1O[C@@H]1CCCNC1
InChIInChI=1S/C14H20ClNO/c1-10(2)13-8-11(15)5-6-14(13)17-12-4-3-7-16-9-12/h5-6,8,10,12,16H,3-4,7,9H2,1-2H3/t12-/m1/s1
InChIKeyXWDRXRLDRNCMNO-GFCCVEGCSA-N
MW253.77 g/mol
LogP3.59
Rot. Bonds3

About (3R)-3-(4-chloro-2-propan-2-ylphenoxy)piperidine

(3R)-3-(4-chloro-2-propan-2-ylphenoxy)piperidine (PubChem CID 86322323) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is (3R)-3-(4-chloro-2-propan-2-ylphenoxy)piperidine.

Molecular Properties

Compound Name(3R)-3-(4-chloro-2-propan-2-ylphenoxy)piperidine
PubChem CID86322323
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name(3R)-3-(4-chloro-2-propan-2-ylphenoxy)piperidine
SMILESCC(C)c1cc(Cl)ccc1O[C@@H]1CCCNC1
InChIInChI=1S/C14H20ClNO/c1-10(2)13-8-11(15)5-6-14(13)17-12-4-3-7-16-9-12/h5-6,8,10,12,16H,3-4,7,9H2,1-2H3/t12-/m1/s1
InChIKeyXWDRXRLDRNCMNO-GFCCVEGCSA-N
XLogP3.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-(4-chloro-2-propan-2-ylphenoxy)pyrrolidine
CID 86322333
(3S)-3-[2-[(2S)-butan-2-yl]-4-chlorophenoxy]piperidine
CID 86322422
(3S)-3-(2,5-dichlorophenoxy)piperidine
CID 26191322
5-chloro-2-[(3S)-piperidin-3-yl]oxybenzamide
CID 66246605
4-(4-bromo-2-propan-2-ylphenoxy)azepane
CID 113303037
1-(5-chloro-2-cyclohexyloxyphenyl)ethanamine
CID 62072498
(3S)-3-(4-bromo-2-chlorophenoxy)piperidine
CID 86317840
4-[2-[(2S)-butan-2-yl]-4-chlorophenoxy]piperidine
CID 86322426
3-(2-chloro-4-propan-2-ylphenoxy)pyrrolidine
CID 56830812
3-(2-chloro-4-ethylphenoxy)piperidine;hydrochloride
CID 56830828
(1S)-1-(5-chloro-2-cyclopropyloxyphenyl)ethanol
CID 130562903
3-(2-fluoro-4-methoxyphenoxy)piperidine
CID 84689805

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-chloro-2-propan-2-ylphenoxy)piperidine?
The IUPAC name of (3R)-3-(4-chloro-2-propan-2-ylphenoxy)piperidine (CID 86322323) is (3R)-3-(4-chloro-2-propan-2-ylphenoxy)piperidine.
What is the SMILES notation for (3R)-3-(4-chloro-2-propan-2-ylphenoxy)piperidine?
The canonical SMILES for (3R)-3-(4-chloro-2-propan-2-ylphenoxy)piperidine is CC(C)c1cc(Cl)ccc1O[C@@H]1CCCNC1.
What is the InChIKey of (3R)-3-(4-chloro-2-propan-2-ylphenoxy)piperidine?
The InChIKey is XWDRXRLDRNCMNO-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-10(2)13-8-11(15)5-6-14(13)17-12-4-3-7-16-9-12/h5-6,8,10,12,16H,3-4,7,9H2,1-2H3/t12-/m1/s1.
What are the key properties of (3R)-3-(4-chloro-2-propan-2-ylphenoxy)piperidine?
(3R)-3-(4-chloro-2-propan-2-ylphenoxy)piperidine has a molecular weight of 253.77 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-chloro-2-propan-2-ylphenoxy)piperidine is sourced from PubChem (CID 86322323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).