(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methanone;dihydrochloride

C16H31Cl2N3O2 — CID 119880091

IUPAC(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methanone;dihydrochloride
SMILESCC(O)CN1CCN(C(=O)C2C3CCC(C3)C2N)CC1C.Cl.Cl
InChIInChI=1S/C16H29N3O2.2ClH/c1-10-8-19(6-5-18(10)9-11(2)20)16(21)14-12-3-4-13(7-12)15(14)17;;/h10-15,20H,3-9,17H2,1-2H3;2*1H
InChIKeyAXRKWDJYSZCKSQ-UHFFFAOYSA-N
MW368.35 g/mol
LogP1.12
Rot. Bonds3

About (3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methanone;dihydrochloride

(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methanone;dihydrochloride (PubChem CID 119880091) has the molecular formula C16H31Cl2N3O2 and a molecular weight of 368.35 g/mol. Its IUPAC name is (3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methanone;dihydrochloride
PubChem CID119880091
Molecular FormulaC16H31Cl2N3O2
Molecular Weight368.35 g/mol
Exact Mass367.18
IUPAC Name(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methanone;dihydrochloride
SMILESCC(O)CN1CCN(C(=O)C2C3CCC(C3)C2N)CC1C.Cl.Cl
InChIInChI=1S/C16H29N3O2.2ClH/c1-10-8-19(6-5-18(10)9-11(2)20)16(21)14-12-3-4-13(7-12)15(14)17;;/h10-15,20H,3-9,17H2,1-2H3;2*1H
InChIKeyAXRKWDJYSZCKSQ-UHFFFAOYSA-N
XLogP1.12
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.35
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methanone;dihydrochloride with MolForge

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Related Compounds

(3-aminocyclopentyl)-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methanone
CID 119880090
(3-amino-2-bicyclo[2.2.1]heptanyl)-(2-methylthiomorpholin-4-yl)methanone;hydrochloride
CID 119774183
(3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone
CID 119781903
(3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(3-methylbutoxy)pyrrolidin-1-yl]methanone;hydrochloride
CID 119789464
(3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(3-methylbutoxy)pyrrolidin-1-yl]methanone
CID 119789465
1-[4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-1,4-diazepan-1-yl]ethanone;hydrochloride
CID 119399343
(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(2-methylpropoxy)piperidin-1-yl]methanone;hydrochloride
CID 119743024
(1-benzoylpiperidin-4-yl)-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methanone
CID 136528204
[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)-[3-(ethoxymethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119814328
1-[4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
CID 119876003
2-[4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone;dihydrochloride
CID 119837255

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methanone;dihydrochloride?
The IUPAC name of (3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methanone;dihydrochloride (CID 119880091) is (3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methanone;dihydrochloride.
What is the SMILES notation for (3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methanone;dihydrochloride?
The canonical SMILES for (3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methanone;dihydrochloride is CC(O)CN1CCN(C(=O)C2C3CCC(C3)C2N)CC1C.Cl.Cl.
What is the InChIKey of (3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methanone;dihydrochloride?
The InChIKey is AXRKWDJYSZCKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2.2ClH/c1-10-8-19(6-5-18(10)9-11(2)20)16(21)14-12-3-4-13(7-12)15(14)17;;/h10-15,20H,3-9,17H2,1-2H3;2*1H.
What are the key properties of (3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methanone;dihydrochloride?
(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methanone;dihydrochloride has a molecular weight of 368.35 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methanone;dihydrochloride is sourced from PubChem (CID 119880091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).