(2S)-2-amino-2-piperidin-4-ylethanol

C7H16N2O — CID 55283997

IUPAC(2S)-2-amino-2-piperidin-4-ylethanol
SMILESN[C@H](CO)C1CCNCC1
InChIInChI=1S/C7H16N2O/c8-7(5-10)6-1-3-9-4-2-6/h6-7,9-10H,1-5,8H2/t7-/m1/s1
InChIKeyKLZGJIBLEJDBJP-SSDOTTSWSA-N
MW144.22 g/mol
LogP-0.69
Rot. Bonds2

About (2S)-2-amino-2-piperidin-4-ylethanol

(2S)-2-amino-2-piperidin-4-ylethanol (PubChem CID 55283997) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is (2S)-2-amino-2-piperidin-4-ylethanol.

Molecular Properties

Compound Name(2S)-2-amino-2-piperidin-4-ylethanol
PubChem CID55283997
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name(2S)-2-amino-2-piperidin-4-ylethanol
SMILESN[C@H](CO)C1CCNCC1
InChIInChI=1S/C7H16N2O/c8-7(5-10)6-1-3-9-4-2-6/h6-7,9-10H,1-5,8H2/t7-/m1/s1
InChIKeyKLZGJIBLEJDBJP-SSDOTTSWSA-N
XLogP-0.69
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-piperidin-4-ylethanol?
The IUPAC name of (2S)-2-amino-2-piperidin-4-ylethanol (CID 55283997) is (2S)-2-amino-2-piperidin-4-ylethanol.
What is the SMILES notation for (2S)-2-amino-2-piperidin-4-ylethanol?
The canonical SMILES for (2S)-2-amino-2-piperidin-4-ylethanol is N[C@H](CO)C1CCNCC1.
What is the InChIKey of (2S)-2-amino-2-piperidin-4-ylethanol?
The InChIKey is KLZGJIBLEJDBJP-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H16N2O/c8-7(5-10)6-1-3-9-4-2-6/h6-7,9-10H,1-5,8H2/t7-/m1/s1.
What are the key properties of (2S)-2-amino-2-piperidin-4-ylethanol?
(2S)-2-amino-2-piperidin-4-ylethanol has a molecular weight of 144.22 g/mol, XLogP of -0.69, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-piperidin-4-ylethanol is sourced from PubChem (CID 55283997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).