(2R)-1-[(3R)-3-aminopiperidin-1-yl]propan-2-ol;hydrochloride

C8H19ClN2O — CID 170983124

IUPAC(2R)-1-[(3R)-3-aminopiperidin-1-yl]propan-2-ol;hydrochloride
SMILESC[C@@H](O)CN1CCC[C@@H](N)C1.Cl
InChIInChI=1S/C8H18N2O.ClH/c1-7(11)5-10-4-2-3-8(9)6-10;/h7-8,11H,2-6,9H2,1H3;1H/t7-,8-;/m1./s1
InChIKeyNTSFDKVMJWYWOM-SCLLHFNJSA-N
MW194.71 g/mol
LogP0.21
Rot. Bonds2

About (2R)-1-[(3R)-3-aminopiperidin-1-yl]propan-2-ol;hydrochloride

(2R)-1-[(3R)-3-aminopiperidin-1-yl]propan-2-ol;hydrochloride (PubChem CID 170983124) has the molecular formula C8H19ClN2O and a molecular weight of 194.71 g/mol. Its IUPAC name is (2R)-1-[(3R)-3-aminopiperidin-1-yl]propan-2-ol;hydrochloride.

Molecular Properties

Compound Name(2R)-1-[(3R)-3-aminopiperidin-1-yl]propan-2-ol;hydrochloride
PubChem CID170983124
Molecular FormulaC8H19ClN2O
Molecular Weight194.71 g/mol
Exact Mass194.12
IUPAC Name(2R)-1-[(3R)-3-aminopiperidin-1-yl]propan-2-ol;hydrochloride
SMILESC[C@@H](O)CN1CCC[C@@H](N)C1.Cl
InChIInChI=1S/C8H18N2O.ClH/c1-7(11)5-10-4-2-3-8(9)6-10;/h7-8,11H,2-6,9H2,1H3;1H/t7-,8-;/m1./s1
InChIKeyNTSFDKVMJWYWOM-SCLLHFNJSA-N
XLogP0.21
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.71
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(3R)-3-aminopiperidin-1-yl]propan-2-ol;hydrochloride?
The IUPAC name of (2R)-1-[(3R)-3-aminopiperidin-1-yl]propan-2-ol;hydrochloride (CID 170983124) is (2R)-1-[(3R)-3-aminopiperidin-1-yl]propan-2-ol;hydrochloride.
What is the SMILES notation for (2R)-1-[(3R)-3-aminopiperidin-1-yl]propan-2-ol;hydrochloride?
The canonical SMILES for (2R)-1-[(3R)-3-aminopiperidin-1-yl]propan-2-ol;hydrochloride is C[C@@H](O)CN1CCC[C@@H](N)C1.Cl.
What is the InChIKey of (2R)-1-[(3R)-3-aminopiperidin-1-yl]propan-2-ol;hydrochloride?
The InChIKey is NTSFDKVMJWYWOM-SCLLHFNJSA-N. The full InChI is InChI=1S/C8H18N2O.ClH/c1-7(11)5-10-4-2-3-8(9)6-10;/h7-8,11H,2-6,9H2,1H3;1H/t7-,8-;/m1./s1.
What are the key properties of (2R)-1-[(3R)-3-aminopiperidin-1-yl]propan-2-ol;hydrochloride?
(2R)-1-[(3R)-3-aminopiperidin-1-yl]propan-2-ol;hydrochloride has a molecular weight of 194.71 g/mol, XLogP of 0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(3R)-3-aminopiperidin-1-yl]propan-2-ol;hydrochloride is sourced from PubChem (CID 170983124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).