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

C16H27ClN2O — CID 119545418

IUPAC[4-(methylaminomethyl)piperidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone;hydrochloride
SMILESCNCC1CCN(C(=O)C2C3C4CCC(C4)C23)CC1.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-17-9-10-4-6-18(7-5-10)16(19)15-13-11-2-3-12(8-11)14(13)15;/h10-15,17H,2-9H2,1H3;1H
InChIKeyWSHFMDNQVIKTHA-UHFFFAOYSA-N
MW298.86 g/mol
LogP2.16
Rot. Bonds3

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

[4-(methylaminomethyl)piperidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone;hydrochloride (PubChem CID 119545418) has the molecular formula C16H27ClN2O and a molecular weight of 298.86 g/mol. Its IUPAC name is [4-(methylaminomethyl)piperidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-(methylaminomethyl)piperidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone;hydrochloride
PubChem CID119545418
Molecular FormulaC16H27ClN2O
Molecular Weight298.86 g/mol
Exact Mass298.18
IUPAC Name[4-(methylaminomethyl)piperidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone;hydrochloride
SMILESCNCC1CCN(C(=O)C2C3C4CCC(C4)C23)CC1.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-17-9-10-4-6-18(7-5-10)16(19)15-13-11-2-3-12(8-11)14(13)15;/h10-15,17H,2-9H2,1H3;1H
InChIKeyWSHFMDNQVIKTHA-UHFFFAOYSA-N
XLogP2.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.86
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

cyclopropyl-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 169490468
[2-(methylaminomethyl)pyrrolidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone;hydrochloride
CID 119650863
1-[4-(methylaminomethyl)piperidin-1-yl]ethanone
CID 22983130
4-(methylaminomethyl)piperidine-1-carboxamide
CID 63248763
7-bicyclo[4.1.0]heptanyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119540418
[4-(methylaminomethyl)piperidin-1-yl]-pyrrolidin-1-ylmethanone
CID 79160945
1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 22983136
7-bicyclo[4.1.0]heptanyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 81478563
[(3R)-3-hydroxypyrrolidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone
CID 103761920
2-bicyclo[2.2.1]heptanyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 63263361
3,3-dimethyl-1-[2-[4-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]butan-1-one;hydrochloride
CID 119544158
(3-amino-5-methylpiperidin-1-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methanone
CID 114097099

Frequently Asked Questions

What is the IUPAC name of [4-(methylaminomethyl)piperidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone;hydrochloride?
The IUPAC name of [4-(methylaminomethyl)piperidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone;hydrochloride (CID 119545418) is [4-(methylaminomethyl)piperidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone;hydrochloride.
What is the SMILES notation for [4-(methylaminomethyl)piperidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone;hydrochloride?
The canonical SMILES for [4-(methylaminomethyl)piperidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone;hydrochloride is CNCC1CCN(C(=O)C2C3C4CCC(C4)C23)CC1.Cl.
What is the InChIKey of [4-(methylaminomethyl)piperidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone;hydrochloride?
The InChIKey is WSHFMDNQVIKTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O.ClH/c1-17-9-10-4-6-18(7-5-10)16(19)15-13-11-2-3-12(8-11)14(13)15;/h10-15,17H,2-9H2,1H3;1H.
What are the key properties of [4-(methylaminomethyl)piperidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone;hydrochloride?
[4-(methylaminomethyl)piperidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone;hydrochloride has a molecular weight of 298.86 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylaminomethyl)piperidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone;hydrochloride is sourced from PubChem (CID 119545418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).