1-amino-3-(1-methylpiperidin-3-yl)propan-2-ol

C9H20N2O — CID 83481488

IUPAC1-amino-3-(1-methylpiperidin-3-yl)propan-2-ol
SMILESCN1CCCC(CC(O)CN)C1
InChIInChI=1S/C9H20N2O/c1-11-4-2-3-8(7-11)5-9(12)6-10/h8-9,12H,2-7,10H2,1H3
InChIKeyJWWOJJTYPDHABN-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.04
Rot. Bonds3

About 1-amino-3-(1-methylpiperidin-3-yl)propan-2-ol

1-amino-3-(1-methylpiperidin-3-yl)propan-2-ol (PubChem CID 83481488) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-amino-3-(1-methylpiperidin-3-yl)propan-2-ol.

Molecular Properties

Compound Name1-amino-3-(1-methylpiperidin-3-yl)propan-2-ol
PubChem CID83481488
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name1-amino-3-(1-methylpiperidin-3-yl)propan-2-ol
SMILESCN1CCCC(CC(O)CN)C1
InChIInChI=1S/C9H20N2O/c1-11-4-2-3-8(7-11)5-9(12)6-10/h8-9,12H,2-7,10H2,1H3
InChIKeyJWWOJJTYPDHABN-UHFFFAOYSA-N
XLogP0.04
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(1-methylpiperidin-3-yl)propan-2-ol?
The IUPAC name of 1-amino-3-(1-methylpiperidin-3-yl)propan-2-ol (CID 83481488) is 1-amino-3-(1-methylpiperidin-3-yl)propan-2-ol.
What is the SMILES notation for 1-amino-3-(1-methylpiperidin-3-yl)propan-2-ol?
The canonical SMILES for 1-amino-3-(1-methylpiperidin-3-yl)propan-2-ol is CN1CCCC(CC(O)CN)C1.
What is the InChIKey of 1-amino-3-(1-methylpiperidin-3-yl)propan-2-ol?
The InChIKey is JWWOJJTYPDHABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-11-4-2-3-8(7-11)5-9(12)6-10/h8-9,12H,2-7,10H2,1H3.
What are the key properties of 1-amino-3-(1-methylpiperidin-3-yl)propan-2-ol?
1-amino-3-(1-methylpiperidin-3-yl)propan-2-ol has a molecular weight of 172.27 g/mol, XLogP of 0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(1-methylpiperidin-3-yl)propan-2-ol is sourced from PubChem (CID 83481488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).