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

C8H18N2O — CID 102984754

IUPAC1-[(3R)-3-aminopiperidin-1-yl]propan-2-ol
SMILESCC(O)CN1CCC[C@@H](N)C1
InChIInChI=1S/C8H18N2O/c1-7(11)5-10-4-2-3-8(9)6-10/h7-8,11H,2-6,9H2,1H3/t7?,8-/m1/s1
InChIKeyVXFRUJUTCFORHU-BRFYHDHCSA-N
MW158.25 g/mol
LogP-0.21
Rot. Bonds2

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

1-[(3R)-3-aminopiperidin-1-yl]propan-2-ol (PubChem CID 102984754) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is 1-[(3R)-3-aminopiperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[(3R)-3-aminopiperidin-1-yl]propan-2-ol
PubChem CID102984754
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC Name1-[(3R)-3-aminopiperidin-1-yl]propan-2-ol
SMILESCC(O)CN1CCC[C@@H](N)C1
InChIInChI=1S/C8H18N2O/c1-7(11)5-10-4-2-3-8(9)6-10/h7-8,11H,2-6,9H2,1H3/t7?,8-/m1/s1
InChIKeyVXFRUJUTCFORHU-BRFYHDHCSA-N
XLogP-0.21
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[(3R)-3-aminopiperidin-1-yl]propan-2-ol
CID 106933676
(2R)-1-[(3R)-3-aminopiperidin-1-yl]propan-2-ol;hydrochloride
CID 170983124
(2S)-1-(3-aminopyrrolidin-1-yl)propan-2-ol
CID 103840761
1-(3-methyl-2-propan-2-ylbutyl)piperidin-3-amine
CID 102908367
1-(3-methylpiperidin-1-yl)propan-2-ol
CID 60886125
1-(4-aminopiperidin-1-yl)propan-2-ol
CID 60886845
(2S)-1-[3-(trifluoromethyl)piperidin-1-yl]propan-2-ol
CID 103935231
1-(2-methylidenebutyl)piperidin-3-amine
CID 66047170
2-(3-aminopiperidin-1-yl)ethanol
CID 61296854
1-(azacyclododec-1-yl)propan-2-ol
CID 58868254
3-[(3R)-3-aminopyrrolidin-1-yl]-2-methylpropan-1-ol
CID 104881569
2-[(3-aminopiperidin-1-yl)methyl]-3,3,3-trifluoropropanoic acid
CID 80996528

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-aminopiperidin-1-yl]propan-2-ol?
The IUPAC name of 1-[(3R)-3-aminopiperidin-1-yl]propan-2-ol (CID 102984754) is 1-[(3R)-3-aminopiperidin-1-yl]propan-2-ol.
What is the SMILES notation for 1-[(3R)-3-aminopiperidin-1-yl]propan-2-ol?
The canonical SMILES for 1-[(3R)-3-aminopiperidin-1-yl]propan-2-ol is CC(O)CN1CCC[C@@H](N)C1.
What is the InChIKey of 1-[(3R)-3-aminopiperidin-1-yl]propan-2-ol?
The InChIKey is VXFRUJUTCFORHU-BRFYHDHCSA-N. The full InChI is InChI=1S/C8H18N2O/c1-7(11)5-10-4-2-3-8(9)6-10/h7-8,11H,2-6,9H2,1H3/t7?,8-/m1/s1.
What are the key properties of 1-[(3R)-3-aminopiperidin-1-yl]propan-2-ol?
1-[(3R)-3-aminopiperidin-1-yl]propan-2-ol has a molecular weight of 158.25 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 1-[(3R)-3-aminopiperidin-1-yl]propan-2-ol is sourced from PubChem (CID 102984754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).