3-[4-(2-methylbutan-2-yl)phenoxy]piperidine;hydrochloride

C16H26ClNO — CID 56831129

IUPAC3-[4-(2-methylbutan-2-yl)phenoxy]piperidine;hydrochloride
SMILESCCC(C)(C)c1ccc(OC2CCCNC2)cc1.Cl
InChIInChI=1S/C16H25NO.ClH/c1-4-16(2,3)13-7-9-14(10-8-13)18-15-6-5-11-17-12-15;/h7-10,15,17H,4-6,11-12H2,1-3H3;1H
InChIKeyKFUNUTIGEUWVBL-UHFFFAOYSA-N
MW283.84 g/mol
LogP3.93
Rot. Bonds4

About 3-[4-(2-methylbutan-2-yl)phenoxy]piperidine;hydrochloride

3-[4-(2-methylbutan-2-yl)phenoxy]piperidine;hydrochloride (PubChem CID 56831129) has the molecular formula C16H26ClNO and a molecular weight of 283.84 g/mol. Its IUPAC name is 3-[4-(2-methylbutan-2-yl)phenoxy]piperidine;hydrochloride.

Molecular Properties

Compound Name3-[4-(2-methylbutan-2-yl)phenoxy]piperidine;hydrochloride
PubChem CID56831129
Molecular FormulaC16H26ClNO
Molecular Weight283.84 g/mol
Exact Mass283.17
IUPAC Name3-[4-(2-methylbutan-2-yl)phenoxy]piperidine;hydrochloride
SMILESCCC(C)(C)c1ccc(OC2CCCNC2)cc1.Cl
InChIInChI=1S/C16H25NO.ClH/c1-4-16(2,3)13-7-9-14(10-8-13)18-15-6-5-11-17-12-15;/h7-10,15,17H,4-6,11-12H2,1-3H3;1H
InChIKeyKFUNUTIGEUWVBL-UHFFFAOYSA-N
XLogP3.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.84
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(4-piperidin-3-yloxyphenyl)ethanamine
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(3R)-3-(4-benzylphenoxy)piperidine
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2-methyl-5-piperidin-3-yloxypyridine
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(3R)-3-(3,4-dimethylphenoxy)piperidine
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[4-(2-methylbutan-2-yl)phenyl]-piperidin-3-ylmethanol
CID 66259760
3-[3-(2-fluoropropan-2-yl)phenoxy]piperidine
CID 115042136
methyl 4-piperidin-3-yloxybenzoate
CID 53410618
4-[(3R)-piperidin-3-yl]oxybenzamide
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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methylbutan-2-yl)phenoxy]piperidine;hydrochloride?
The IUPAC name of 3-[4-(2-methylbutan-2-yl)phenoxy]piperidine;hydrochloride (CID 56831129) is 3-[4-(2-methylbutan-2-yl)phenoxy]piperidine;hydrochloride.
What is the SMILES notation for 3-[4-(2-methylbutan-2-yl)phenoxy]piperidine;hydrochloride?
The canonical SMILES for 3-[4-(2-methylbutan-2-yl)phenoxy]piperidine;hydrochloride is CCC(C)(C)c1ccc(OC2CCCNC2)cc1.Cl.
What is the InChIKey of 3-[4-(2-methylbutan-2-yl)phenoxy]piperidine;hydrochloride?
The InChIKey is KFUNUTIGEUWVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO.ClH/c1-4-16(2,3)13-7-9-14(10-8-13)18-15-6-5-11-17-12-15;/h7-10,15,17H,4-6,11-12H2,1-3H3;1H.
What are the key properties of 3-[4-(2-methylbutan-2-yl)phenoxy]piperidine;hydrochloride?
3-[4-(2-methylbutan-2-yl)phenoxy]piperidine;hydrochloride has a molecular weight of 283.84 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methylbutan-2-yl)phenoxy]piperidine;hydrochloride is sourced from PubChem (CID 56831129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).