(3-amino-2-bicyclo[2.2.1]heptanyl)-(3-methyl-3-propylpiperidin-1-yl)methanone;hydrochloride

C17H31ClN2O — CID 119791962

IUPAC(3-amino-2-bicyclo[2.2.1]heptanyl)-(3-methyl-3-propylpiperidin-1-yl)methanone;hydrochloride
SMILESCCCC1(C)CCCN(C(=O)C2C3CCC(C3)C2N)C1.Cl
InChIInChI=1S/C17H30N2O.ClH/c1-3-7-17(2)8-4-9-19(11-17)16(20)14-12-5-6-13(10-12)15(14)18;/h12-15H,3-11,18H2,1-2H3;1H
InChIKeyIPMRRTPFSFXKAP-UHFFFAOYSA-N
MW314.90 g/mol
LogP3.21
Rot. Bonds3

About (3-amino-2-bicyclo[2.2.1]heptanyl)-(3-methyl-3-propylpiperidin-1-yl)methanone;hydrochloride

(3-amino-2-bicyclo[2.2.1]heptanyl)-(3-methyl-3-propylpiperidin-1-yl)methanone;hydrochloride (PubChem CID 119791962) has the molecular formula C17H31ClN2O and a molecular weight of 314.90 g/mol. Its IUPAC name is (3-amino-2-bicyclo[2.2.1]heptanyl)-(3-methyl-3-propylpiperidin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(3-amino-2-bicyclo[2.2.1]heptanyl)-(3-methyl-3-propylpiperidin-1-yl)methanone;hydrochloride
PubChem CID119791962
Molecular FormulaC17H31ClN2O
Molecular Weight314.90 g/mol
Exact Mass314.21
IUPAC Name(3-amino-2-bicyclo[2.2.1]heptanyl)-(3-methyl-3-propylpiperidin-1-yl)methanone;hydrochloride
SMILESCCCC1(C)CCCN(C(=O)C2C3CCC(C3)C2N)C1.Cl
InChIInChI=1S/C17H30N2O.ClH/c1-3-7-17(2)8-4-9-19(11-17)16(20)14-12-5-6-13(10-12)15(14)18;/h12-15H,3-11,18H2,1-2H3;1H
InChIKeyIPMRRTPFSFXKAP-UHFFFAOYSA-N
XLogP3.21
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.90
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3-amino-2-bicyclo[2.2.1]heptanyl)-(3-methyl-3-propylpiperidin-1-yl)methanone;hydrochloride with MolForge

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Related Compounds

1-[4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-1,4-diazepan-1-yl]ethanone;hydrochloride
CID 119399343
(2R)-2-amino-1-(3-methyl-3-propylpiperidin-1-yl)propan-1-one;hydrochloride
CID 119328269
(4-hydroxypyrrolidin-2-yl)-(3-methyl-3-propylpiperidin-1-yl)methanone
CID 119791971
1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-N-propylpiperidine-4-carboxamide;hydrochloride
CID 119702855
4-amino-1-(3-methyl-3-propylpiperidin-1-yl)butan-1-one
CID 119328278
2-[4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone;dihydrochloride
CID 119837255
N-(4-hydroxycyclohexyl)-3-methyl-3-propylpiperidine-1-carboxamide
CID 111470967
N-[[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-3-yl]methyl]acetamide
CID 119746028
(3-amino-2-bicyclo[2.2.1]heptanyl)-thiomorpholin-4-ylmethanone;hydrochloride
CID 119705162
3-amino-N-[(1-propylcyclopropyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119822130
[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride
CID 119738138
(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone
CID 119851960

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-bicyclo[2.2.1]heptanyl)-(3-methyl-3-propylpiperidin-1-yl)methanone;hydrochloride?
The IUPAC name of (3-amino-2-bicyclo[2.2.1]heptanyl)-(3-methyl-3-propylpiperidin-1-yl)methanone;hydrochloride (CID 119791962) is (3-amino-2-bicyclo[2.2.1]heptanyl)-(3-methyl-3-propylpiperidin-1-yl)methanone;hydrochloride.
What is the SMILES notation for (3-amino-2-bicyclo[2.2.1]heptanyl)-(3-methyl-3-propylpiperidin-1-yl)methanone;hydrochloride?
The canonical SMILES for (3-amino-2-bicyclo[2.2.1]heptanyl)-(3-methyl-3-propylpiperidin-1-yl)methanone;hydrochloride is CCCC1(C)CCCN(C(=O)C2C3CCC(C3)C2N)C1.Cl.
What is the InChIKey of (3-amino-2-bicyclo[2.2.1]heptanyl)-(3-methyl-3-propylpiperidin-1-yl)methanone;hydrochloride?
The InChIKey is IPMRRTPFSFXKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O.ClH/c1-3-7-17(2)8-4-9-19(11-17)16(20)14-12-5-6-13(10-12)15(14)18;/h12-15H,3-11,18H2,1-2H3;1H.
What are the key properties of (3-amino-2-bicyclo[2.2.1]heptanyl)-(3-methyl-3-propylpiperidin-1-yl)methanone;hydrochloride?
(3-amino-2-bicyclo[2.2.1]heptanyl)-(3-methyl-3-propylpiperidin-1-yl)methanone;hydrochloride has a molecular weight of 314.90 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-bicyclo[2.2.1]heptanyl)-(3-methyl-3-propylpiperidin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119791962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).