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

C15H22ClNO — CID 86322426

IUPAC4-[2-[(2S)-butan-2-yl]-4-chlorophenoxy]piperidine
SMILESCC[C@H](C)c1cc(Cl)ccc1OC1CCNCC1
InChIInChI=1S/C15H22ClNO/c1-3-11(2)14-10-12(16)4-5-15(14)18-13-6-8-17-9-7-13/h4-5,10-11,13,17H,3,6-9H2,1-2H3/t11-/m0/s1
InChIKeyMYDTWMRCPBYNCF-NSHDSACASA-N
MW267.80 g/mol
LogP3.98
Rot. Bonds4

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

4-[2-[(2S)-butan-2-yl]-4-chlorophenoxy]piperidine (PubChem CID 86322426) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 4-[2-[(2S)-butan-2-yl]-4-chlorophenoxy]piperidine.

Molecular Properties

Compound Name4-[2-[(2S)-butan-2-yl]-4-chlorophenoxy]piperidine
PubChem CID86322426
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name4-[2-[(2S)-butan-2-yl]-4-chlorophenoxy]piperidine
SMILESCC[C@H](C)c1cc(Cl)ccc1OC1CCNCC1
InChIInChI=1S/C15H22ClNO/c1-3-11(2)14-10-12(16)4-5-15(14)18-13-6-8-17-9-7-13/h4-5,10-11,13,17H,3,6-9H2,1-2H3/t11-/m0/s1
InChIKeyMYDTWMRCPBYNCF-NSHDSACASA-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

(3S)-3-[2-[(2S)-butan-2-yl]-4-chlorophenoxy]piperidine
CID 86322422
(3R)-3-(4-chloro-2-propan-2-ylphenoxy)pyrrolidine
CID 86322333
4-[4-[(2S)-butan-2-yl]-2-chlorophenoxy]piperidine
CID 86322273
4-(4-chloro-2-ethylphenoxy)piperidine
CID 22397478
(3R)-3-[[2-[(2R)-butan-2-yl]-4-chlorophenoxy]methyl]pyrrolidine
CID 86320445
4-(2-bromo-4-butan-2-ylphenoxy)piperidine
CID 56830691
4-[2-bromo-4-[(2S)-butan-2-yl]phenoxy]piperidine
CID 86322054
(1S)-1-(5-chloro-2-cyclopropyloxyphenyl)ethanol
CID 130562903
4-(4-chloro-2-fluorophenoxy)piperidine;hydrochloride
CID 46735703
methyl (2S,4S)-4-(2-butan-2-yl-4-chlorophenoxy)pyrrolidine-2-carboxylate
CID 56831409
(3R)-3-(4-chloro-2-propan-2-ylphenoxy)piperidine
CID 86322323
(3R)-3-[4-[(2S)-butan-2-yl]-2-chlorophenoxy]pyrrolidine
CID 86322289

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2S)-butan-2-yl]-4-chlorophenoxy]piperidine?
The IUPAC name of 4-[2-[(2S)-butan-2-yl]-4-chlorophenoxy]piperidine (CID 86322426) is 4-[2-[(2S)-butan-2-yl]-4-chlorophenoxy]piperidine.
What is the SMILES notation for 4-[2-[(2S)-butan-2-yl]-4-chlorophenoxy]piperidine?
The canonical SMILES for 4-[2-[(2S)-butan-2-yl]-4-chlorophenoxy]piperidine is CC[C@H](C)c1cc(Cl)ccc1OC1CCNCC1.
What is the InChIKey of 4-[2-[(2S)-butan-2-yl]-4-chlorophenoxy]piperidine?
The InChIKey is MYDTWMRCPBYNCF-NSHDSACASA-N. The full InChI is InChI=1S/C15H22ClNO/c1-3-11(2)14-10-12(16)4-5-15(14)18-13-6-8-17-9-7-13/h4-5,10-11,13,17H,3,6-9H2,1-2H3/t11-/m0/s1.
What are the key properties of 4-[2-[(2S)-butan-2-yl]-4-chlorophenoxy]piperidine?
4-[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 4-[2-[(2S)-butan-2-yl]-4-chlorophenoxy]piperidine is sourced from PubChem (CID 86322426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).