(2R)-2-amino-1-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]propan-1-one;dihydrochloride

C14H27Cl2N3O — CID 119894956

IUPAC(2R)-2-amino-1-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]propan-1-one;dihydrochloride
SMILESC[C@@H](N)C(=O)N1CCN(C2CC3CCC2C3)CC1.Cl.Cl
InChIInChI=1S/C14H25N3O.2ClH/c1-10(15)14(18)17-6-4-16(5-7-17)13-9-11-2-3-12(13)8-11;;/h10-13H,2-9,15H2,1H3;2*1H/t10-,11?,12?,13?;;/m1../s1
InChIKeyWUQRPDOWIMIRBA-AMLNZETGSA-N
MW324.30 g/mol
LogP1.51
Rot. Bonds2

About (2R)-2-amino-1-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]propan-1-one;dihydrochloride

(2R)-2-amino-1-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]propan-1-one;dihydrochloride (PubChem CID 119894956) has the molecular formula C14H27Cl2N3O and a molecular weight of 324.30 g/mol. Its IUPAC name is (2R)-2-amino-1-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]propan-1-one;dihydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-1-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]propan-1-one;dihydrochloride
PubChem CID119894956
Molecular FormulaC14H27Cl2N3O
Molecular Weight324.30 g/mol
Exact Mass323.15
IUPAC Name(2R)-2-amino-1-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]propan-1-one;dihydrochloride
SMILESC[C@@H](N)C(=O)N1CCN(C2CC3CCC2C3)CC1.Cl.Cl
InChIInChI=1S/C14H25N3O.2ClH/c1-10(15)14(18)17-6-4-16(5-7-17)13-9-11-2-3-12(13)8-11;;/h10-13H,2-9,15H2,1H3;2*1H/t10-,11?,12?,13?;;/m1../s1
InChIKeyWUQRPDOWIMIRBA-AMLNZETGSA-N
XLogP1.51
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-amino-1-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]propan-1-one;dihydrochloride with MolForge

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Related Compounds

3-amino-1-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-2-methylbutan-1-one;dihydrochloride
CID 120504209
(2S)-2-amino-1-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-3,3-dimethylbutan-1-one;dihydrochloride
CID 119894958
4-amino-1-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119894988
3-amino-1-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119954098
[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120638318
1-[4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-3-methoxypropan-1-one
CID 129378387
1-(2-bicyclo[2.2.1]heptanyl)-4-(2-methylpropyl)piperazine
CID 139318530
4-(2-bicyclo[2.2.1]heptanyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide
CID 71979650
(2R)-2-amino-1-(4-aminopiperidin-1-yl)propan-1-one;hydrochloride
CID 131089631
(2R)-2-amino-1-(4-methylpiperazin-1-yl)propan-1-one;hydrochloride
CID 156637210
(2R)-2-amino-1-(4-methylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 122361126
N-(3-acetamidopropyl)-4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazine-1-carboxamide
CID 129378400

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]propan-1-one;dihydrochloride?
The IUPAC name of (2R)-2-amino-1-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]propan-1-one;dihydrochloride (CID 119894956) is (2R)-2-amino-1-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]propan-1-one;dihydrochloride.
What is the SMILES notation for (2R)-2-amino-1-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]propan-1-one;dihydrochloride?
The canonical SMILES for (2R)-2-amino-1-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]propan-1-one;dihydrochloride is C[C@@H](N)C(=O)N1CCN(C2CC3CCC2C3)CC1.Cl.Cl.
What is the InChIKey of (2R)-2-amino-1-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]propan-1-one;dihydrochloride?
The InChIKey is WUQRPDOWIMIRBA-AMLNZETGSA-N. The full InChI is InChI=1S/C14H25N3O.2ClH/c1-10(15)14(18)17-6-4-16(5-7-17)13-9-11-2-3-12(13)8-11;;/h10-13H,2-9,15H2,1H3;2*1H/t10-,11?,12?,13?;;/m1../s1.
What are the key properties of (2R)-2-amino-1-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]propan-1-one;dihydrochloride?
(2R)-2-amino-1-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]propan-1-one;dihydrochloride has a molecular weight of 324.30 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]propan-1-one;dihydrochloride is sourced from PubChem (CID 119894956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).