(2R)-2-amino-1-(4-aminopiperidin-1-yl)propan-1-one;hydrochloride

C8H18ClN3O — CID 131089631

IUPAC(2R)-2-amino-1-(4-aminopiperidin-1-yl)propan-1-one;hydrochloride
SMILESC[C@@H](N)C(=O)N1CCC(N)CC1.Cl
InChIInChI=1S/C8H17N3O.ClH/c1-6(9)8(12)11-4-2-7(10)3-5-11;/h6-7H,2-5,9-10H2,1H3;1H/t6-;/m1./s1
InChIKeyBAZUNTIMBKGJQK-FYZOBXCZSA-N
MW207.70 g/mol
LogP-0.29
Rot. Bonds1

About (2R)-2-amino-1-(4-aminopiperidin-1-yl)propan-1-one;hydrochloride

(2R)-2-amino-1-(4-aminopiperidin-1-yl)propan-1-one;hydrochloride (PubChem CID 131089631) has the molecular formula C8H18ClN3O and a molecular weight of 207.70 g/mol. Its IUPAC name is (2R)-2-amino-1-(4-aminopiperidin-1-yl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-1-(4-aminopiperidin-1-yl)propan-1-one;hydrochloride
PubChem CID131089631
Molecular FormulaC8H18ClN3O
Molecular Weight207.70 g/mol
Exact Mass207.11
IUPAC Name(2R)-2-amino-1-(4-aminopiperidin-1-yl)propan-1-one;hydrochloride
SMILESC[C@@H](N)C(=O)N1CCC(N)CC1.Cl
InChIInChI=1S/C8H17N3O.ClH/c1-6(9)8(12)11-4-2-7(10)3-5-11;/h6-7H,2-5,9-10H2,1H3;1H/t6-;/m1./s1
InChIKeyBAZUNTIMBKGJQK-FYZOBXCZSA-N
XLogP-0.29
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-(4-aminopiperidin-1-yl)propan-1-one;hydrochloride?
The IUPAC name of (2R)-2-amino-1-(4-aminopiperidin-1-yl)propan-1-one;hydrochloride (CID 131089631) is (2R)-2-amino-1-(4-aminopiperidin-1-yl)propan-1-one;hydrochloride.
What is the SMILES notation for (2R)-2-amino-1-(4-aminopiperidin-1-yl)propan-1-one;hydrochloride?
The canonical SMILES for (2R)-2-amino-1-(4-aminopiperidin-1-yl)propan-1-one;hydrochloride is C[C@@H](N)C(=O)N1CCC(N)CC1.Cl.
What is the InChIKey of (2R)-2-amino-1-(4-aminopiperidin-1-yl)propan-1-one;hydrochloride?
The InChIKey is BAZUNTIMBKGJQK-FYZOBXCZSA-N. The full InChI is InChI=1S/C8H17N3O.ClH/c1-6(9)8(12)11-4-2-7(10)3-5-11;/h6-7H,2-5,9-10H2,1H3;1H/t6-;/m1./s1.
What are the key properties of (2R)-2-amino-1-(4-aminopiperidin-1-yl)propan-1-one;hydrochloride?
(2R)-2-amino-1-(4-aminopiperidin-1-yl)propan-1-one;hydrochloride has a molecular weight of 207.70 g/mol, XLogP of -0.29, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-(4-aminopiperidin-1-yl)propan-1-one;hydrochloride is sourced from PubChem (CID 131089631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).