[3-(1-aminoethyl)piperidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone;hydrochloride

C16H27ClN2O — CID 119595332

IUPAC[3-(1-aminoethyl)piperidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone;hydrochloride
SMILESCC(N)C1CCCN(C(=O)C2C3C4CCC(C4)C23)C1.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-9(17)12-3-2-6-18(8-12)16(19)15-13-10-4-5-11(7-10)14(13)15;/h9-15H,2-8,17H2,1H3;1H
InChIKeyLGYKXQISAWNNIZ-UHFFFAOYSA-N
MW298.86 g/mol
LogP2.29
Rot. Bonds2

About [3-(1-aminoethyl)piperidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone;hydrochloride

[3-(1-aminoethyl)piperidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone;hydrochloride (PubChem CID 119595332) has the molecular formula C16H27ClN2O and a molecular weight of 298.86 g/mol. Its IUPAC name is [3-(1-aminoethyl)piperidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone;hydrochloride.

Molecular Properties

Compound Name[3-(1-aminoethyl)piperidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone;hydrochloride
PubChem CID119595332
Molecular FormulaC16H27ClN2O
Molecular Weight298.86 g/mol
Exact Mass298.18
IUPAC Name[3-(1-aminoethyl)piperidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone;hydrochloride
SMILESCC(N)C1CCCN(C(=O)C2C3C4CCC(C4)C23)C1.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-9(17)12-3-2-6-18(8-12)16(19)15-13-10-4-5-11(7-10)14(13)15;/h9-15H,2-8,17H2,1H3;1H
InChIKeyLGYKXQISAWNNIZ-UHFFFAOYSA-N
XLogP2.29
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.86
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [3-(1-aminoethyl)piperidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone;hydrochloride with MolForge

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Related Compounds

[3-(1-aminoethyl)piperidin-1-yl]-(7-bicyclo[4.1.0]heptanyl)methanone;hydrochloride
CID 119594774
[3-(1-aminoethyl)piperidin-1-yl]-cycloheptylmethanone;hydrochloride
CID 119595993
[3-(1-aminoethyl)piperidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119260950
[3-(1-aminoethyl)piperidin-1-yl]-(2,4,5-trimethyloxolan-3-yl)methanone
CID 65160690
[3-(1-aminoethyl)piperidin-1-yl]-(2-cyclohexylcyclopropyl)methanone
CID 119593107
[2-[3-(1-aminoethyl)piperidine-1-carbonyl]cyclohexyl]-pyrrolidin-1-ylmethanone
CID 119594689
1-[3-(1-aminoethyl)piperidin-1-yl]-2-cyclopropylpropan-1-one;hydrochloride
CID 119594099
methyl (3S)-1-(tricyclo[3.2.1.02,4]octane-3-carbonyl)piperidine-3-carboxylate
CID 103760898
methyl (3S)-3-[(1R)-1-aminoethyl]piperidine-1-carboxylate
CID 95320381
(E)-1-[3-(1-aminoethyl)piperidin-1-yl]-2-methylbut-2-en-1-one;hydrochloride
CID 132970517
1-[3-(1-aminoethyl)piperidin-1-yl]-2-methylbutan-1-one;hydrochloride
CID 119592618
3-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-(2-methylpropyl)piperidine-1-carboxamide;hydrochloride
CID 119594752

Frequently Asked Questions

What is the IUPAC name of [3-(1-aminoethyl)piperidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone;hydrochloride?
The IUPAC name of [3-(1-aminoethyl)piperidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone;hydrochloride (CID 119595332) is [3-(1-aminoethyl)piperidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone;hydrochloride.
What is the SMILES notation for [3-(1-aminoethyl)piperidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone;hydrochloride?
The canonical SMILES for [3-(1-aminoethyl)piperidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone;hydrochloride is CC(N)C1CCCN(C(=O)C2C3C4CCC(C4)C23)C1.Cl.
What is the InChIKey of [3-(1-aminoethyl)piperidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone;hydrochloride?
The InChIKey is LGYKXQISAWNNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O.ClH/c1-9(17)12-3-2-6-18(8-12)16(19)15-13-10-4-5-11(7-10)14(13)15;/h9-15H,2-8,17H2,1H3;1H.
What are the key properties of [3-(1-aminoethyl)piperidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone;hydrochloride?
[3-(1-aminoethyl)piperidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone;hydrochloride has a molecular weight of 298.86 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-aminoethyl)piperidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone;hydrochloride is sourced from PubChem (CID 119595332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).