(3S)-3-[2-[(2S)-butan-2-yl]-4-chlorophenoxy]piperidine

C15H22ClNO — CID 86322422

IUPAC(3S)-3-[2-[(2S)-butan-2-yl]-4-chlorophenoxy]piperidine
SMILESCC[C@H](C)c1cc(Cl)ccc1O[C@H]1CCCNC1
InChIInChI=1S/C15H22ClNO/c1-3-11(2)14-9-12(16)6-7-15(14)18-13-5-4-8-17-10-13/h6-7,9,11,13,17H,3-5,8,10H2,1-2H3/t11-,13-/m0/s1
InChIKeyGHPIVTYDLTZREQ-AAEUAGOBSA-N
MW267.80 g/mol
LogP3.98
Rot. Bonds4

About (3S)-3-[2-[(2S)-butan-2-yl]-4-chlorophenoxy]piperidine

(3S)-3-[2-[(2S)-butan-2-yl]-4-chlorophenoxy]piperidine (PubChem CID 86322422) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is (3S)-3-[2-[(2S)-butan-2-yl]-4-chlorophenoxy]piperidine.

Molecular Properties

Compound Name(3S)-3-[2-[(2S)-butan-2-yl]-4-chlorophenoxy]piperidine
PubChem CID86322422
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name(3S)-3-[2-[(2S)-butan-2-yl]-4-chlorophenoxy]piperidine
SMILESCC[C@H](C)c1cc(Cl)ccc1O[C@H]1CCCNC1
InChIInChI=1S/C15H22ClNO/c1-3-11(2)14-9-12(16)6-7-15(14)18-13-5-4-8-17-10-13/h6-7,9,11,13,17H,3-5,8,10H2,1-2H3/t11-,13-/m0/s1
InChIKeyGHPIVTYDLTZREQ-AAEUAGOBSA-N
XLogP3.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-(4-chloro-2-propan-2-ylphenoxy)piperidine
CID 86322323
4-[2-[(2S)-butan-2-yl]-4-chlorophenoxy]piperidine
CID 86322426
(3R)-3-(4-chloro-2-propan-2-ylphenoxy)pyrrolidine
CID 86322333
(3S)-3-[2-[2-[(2R)-butan-2-yl]-4-chlorophenoxy]ethyl]piperidine
CID 86320429
(3R)-3-[[2-[(2R)-butan-2-yl]-4-chlorophenoxy]methyl]pyrrolidine
CID 86320445
(3S)-3-(2,5-dichlorophenoxy)piperidine
CID 26191322
(3R)-3-[4-[(2S)-butan-2-yl]-2-chlorophenoxy]pyrrolidine
CID 86322289
5-chloro-2-[(3S)-piperidin-3-yl]oxybenzamide
CID 66246605
3-(2-chloro-4-ethylphenoxy)piperidine;hydrochloride
CID 56830828
methyl (2S,4S)-4-(2-butan-2-yl-4-chlorophenoxy)pyrrolidine-2-carboxylate
CID 56831409
3-(2-bromo-4-butan-2-ylphenoxy)pyrrolidine;hydrochloride
CID 56830692
1-(5-chloro-2-cyclohexyloxyphenyl)ethanamine
CID 62072498

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[2-[(2S)-butan-2-yl]-4-chlorophenoxy]piperidine?
The IUPAC name of (3S)-3-[2-[(2S)-butan-2-yl]-4-chlorophenoxy]piperidine (CID 86322422) is (3S)-3-[2-[(2S)-butan-2-yl]-4-chlorophenoxy]piperidine.
What is the SMILES notation for (3S)-3-[2-[(2S)-butan-2-yl]-4-chlorophenoxy]piperidine?
The canonical SMILES for (3S)-3-[2-[(2S)-butan-2-yl]-4-chlorophenoxy]piperidine is CC[C@H](C)c1cc(Cl)ccc1O[C@H]1CCCNC1.
What is the InChIKey of (3S)-3-[2-[(2S)-butan-2-yl]-4-chlorophenoxy]piperidine?
The InChIKey is GHPIVTYDLTZREQ-AAEUAGOBSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-3-11(2)14-9-12(16)6-7-15(14)18-13-5-4-8-17-10-13/h6-7,9,11,13,17H,3-5,8,10H2,1-2H3/t11-,13-/m0/s1.
What are the key properties of (3S)-3-[2-[(2S)-butan-2-yl]-4-chlorophenoxy]piperidine?
(3S)-3-[2-[(2S)-butan-2-yl]-4-chlorophenoxy]piperidine has a molecular weight of 267.80 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[2-[(2S)-butan-2-yl]-4-chlorophenoxy]piperidine is sourced from PubChem (CID 86322422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).