(3S,4R)-1-(3-aminopropyl)-3-methylpiperidin-4-ol

C9H20N2O — CID 129445658

IUPAC(3S,4R)-1-(3-aminopropyl)-3-methylpiperidin-4-ol
SMILESC[C@H]1CN(CCCN)CC[C@H]1O
InChIInChI=1S/C9H20N2O/c1-8-7-11(5-2-4-10)6-3-9(8)12/h8-9,12H,2-7,10H2,1H3/t8-,9+/m0/s1
InChIKeyHDDRCXCXWJBWNO-DTWKUNHWSA-N
MW172.27 g/mol
LogP0.04
Rot. Bonds3

About (3S,4R)-1-(3-aminopropyl)-3-methylpiperidin-4-ol

(3S,4R)-1-(3-aminopropyl)-3-methylpiperidin-4-ol (PubChem CID 129445658) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is (3S,4R)-1-(3-aminopropyl)-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name(3S,4R)-1-(3-aminopropyl)-3-methylpiperidin-4-ol
PubChem CID129445658
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name(3S,4R)-1-(3-aminopropyl)-3-methylpiperidin-4-ol
SMILESC[C@H]1CN(CCCN)CC[C@H]1O
InChIInChI=1S/C9H20N2O/c1-8-7-11(5-2-4-10)6-3-9(8)12/h8-9,12H,2-7,10H2,1H3/t8-,9+/m0/s1
InChIKeyHDDRCXCXWJBWNO-DTWKUNHWSA-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 (3S,4R)-1-(3-aminopropyl)-3-methylpiperidin-4-ol?
The IUPAC name of (3S,4R)-1-(3-aminopropyl)-3-methylpiperidin-4-ol (CID 129445658) is (3S,4R)-1-(3-aminopropyl)-3-methylpiperidin-4-ol.
What is the SMILES notation for (3S,4R)-1-(3-aminopropyl)-3-methylpiperidin-4-ol?
The canonical SMILES for (3S,4R)-1-(3-aminopropyl)-3-methylpiperidin-4-ol is C[C@H]1CN(CCCN)CC[C@H]1O.
What is the InChIKey of (3S,4R)-1-(3-aminopropyl)-3-methylpiperidin-4-ol?
The InChIKey is HDDRCXCXWJBWNO-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H20N2O/c1-8-7-11(5-2-4-10)6-3-9(8)12/h8-9,12H,2-7,10H2,1H3/t8-,9+/m0/s1.
What are the key properties of (3S,4R)-1-(3-aminopropyl)-3-methylpiperidin-4-ol?
(3S,4R)-1-(3-aminopropyl)-3-methylpiperidin-4-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 (3S,4R)-1-(3-aminopropyl)-3-methylpiperidin-4-ol is sourced from PubChem (CID 129445658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).