hypochlorous acid;1-(2-phenylethyl)piperidin-4-amine

C13H21ClN2O — CID 159010718

IUPAChypochlorous acid;1-(2-phenylethyl)piperidin-4-amine
SMILESNC1CCN(CCc2ccccc2)CC1.OCl
InChIInChI=1S/C13H20N2.ClHO/c14-13-7-10-15(11-8-13)9-6-12-4-2-1-3-5-12;1-2/h1-5,13H,6-11,14H2;2H
InChIKeyJSLIHELBDAIPAY-UHFFFAOYSA-N
MW256.78 g/mol
LogP1.78
Rot. Bonds3

About hypochlorous acid;1-(2-phenylethyl)piperidin-4-amine

hypochlorous acid;1-(2-phenylethyl)piperidin-4-amine (PubChem CID 159010718) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is hypochlorous acid;1-(2-phenylethyl)piperidin-4-amine.

Molecular Properties

Compound Namehypochlorous acid;1-(2-phenylethyl)piperidin-4-amine
PubChem CID159010718
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC Namehypochlorous acid;1-(2-phenylethyl)piperidin-4-amine
SMILESNC1CCN(CCc2ccccc2)CC1.OCl
InChIInChI=1S/C13H20N2.ClHO/c14-13-7-10-15(11-8-13)9-6-12-4-2-1-3-5-12;1-2/h1-5,13H,6-11,14H2;2H
InChIKeyJSLIHELBDAIPAY-UHFFFAOYSA-N
XLogP1.78
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-phenylethyl)pyrrolidin-3-amine
CID 18411819
1,4-bis(2-phenylethyl)piperidine
CID 86059939
1-[3-(4-phenylbutoxy)propyl]piperidin-4-amine
CID 141012583
1-[4-(3-phenylpropoxy)butyl]piperidin-4-amine
CID 141012569
4-phenyl-1-(2-phenylethyl)piperidine
CID 54327803
1-[1-(2-phenylethyl)piperidin-4-yl]propan-2-one
CID 91066531
1-(2-phenylethyl)-4-propan-2-ylpiperidine
CID 18683008
1-[1-(2-phenylethyl)piperidin-4-yl]ethanol
CID 103656947
1-benzylpiperidin-4-amine;piperazine
CID 68641719
1-(2-chloroprop-2-enyl)-4-(2-phenylethyl)piperazine
CID 47018464
1-[2-(4-dodecylphenyl)ethyl]piperidin-4-amine
CID 72735441
(R)-phenyl-[1-(2-phenylethyl)piperidin-4-yl]methanol
CID 6604770

Frequently Asked Questions

What is the IUPAC name of hypochlorous acid;1-(2-phenylethyl)piperidin-4-amine?
The IUPAC name of hypochlorous acid;1-(2-phenylethyl)piperidin-4-amine (CID 159010718) is hypochlorous acid;1-(2-phenylethyl)piperidin-4-amine.
What is the SMILES notation for hypochlorous acid;1-(2-phenylethyl)piperidin-4-amine?
The canonical SMILES for hypochlorous acid;1-(2-phenylethyl)piperidin-4-amine is NC1CCN(CCc2ccccc2)CC1.OCl.
What is the InChIKey of hypochlorous acid;1-(2-phenylethyl)piperidin-4-amine?
The InChIKey is JSLIHELBDAIPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2.ClHO/c14-13-7-10-15(11-8-13)9-6-12-4-2-1-3-5-12;1-2/h1-5,13H,6-11,14H2;2H.
What are the key properties of hypochlorous acid;1-(2-phenylethyl)piperidin-4-amine?
hypochlorous acid;1-(2-phenylethyl)piperidin-4-amine has a molecular weight of 256.78 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hypochlorous acid;1-(2-phenylethyl)piperidin-4-amine is sourced from PubChem (CID 159010718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).