(2S,4R)-1-methyl-2-propylpiperidin-4-ol

C9H19NO — CID 130992897

IUPAC(2S,4R)-1-methyl-2-propylpiperidin-4-ol
SMILESCCC[C@H]1C[C@H](O)CCN1C
InChIInChI=1S/C9H19NO/c1-3-4-8-7-9(11)5-6-10(8)2/h8-9,11H,3-7H2,1-2H3/t8-,9+/m0/s1
InChIKeyIJAJMWAKXBFNTQ-DTWKUNHWSA-N
MW157.26 g/mol
LogP1.24
Rot. Bonds2

About (2S,4R)-1-methyl-2-propylpiperidin-4-ol

(2S,4R)-1-methyl-2-propylpiperidin-4-ol (PubChem CID 130992897) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (2S,4R)-1-methyl-2-propylpiperidin-4-ol.

Molecular Properties

Compound Name(2S,4R)-1-methyl-2-propylpiperidin-4-ol
PubChem CID130992897
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(2S,4R)-1-methyl-2-propylpiperidin-4-ol
SMILESCCC[C@H]1C[C@H](O)CCN1C
InChIInChI=1S/C9H19NO/c1-3-4-8-7-9(11)5-6-10(8)2/h8-9,11H,3-7H2,1-2H3/t8-,9+/m0/s1
InChIKeyIJAJMWAKXBFNTQ-DTWKUNHWSA-N
XLogP1.24
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-isothiocyanatoethyl)-1-methylpiperidin-4-ol
CID 129189051
1-(2-methoxyethyl)-5-propylpyrrolidin-3-ol
CID 102568675
2-(hydroxymethyl)-1-nonylpiperidin-4-ol
CID 126625553
1-propan-2-yl-5-propylpyrrolidin-3-ol
CID 102568671
3-(azocan-1-yl)-4-propylcyclohexan-1-ol
CID 165499364
bis(2-(hydroxymethyl)-1-methylpiperidin-4-ol);2-methyl-6-oxa-2-azabicyclo[3.2.1]octan-7-one
CID 162168807
1-butyl-2-methylpiperidin-4-ol
CID 119028950
(3S,5S)-1-(2-methylpropyl)-5-propylpyrrolidin-3-ol
CID 99995289
(2S,4R)-1-(2-hydroxyethyl)-2-(hydroxymethyl)piperidin-4-ol
CID 138510968
(4-ethyl-1-methylpiperidin-2-yl)methanol
CID 170083810
1-ethyl-2-propylpyrrolidine;hydrofluoride
CID 175875195
ethane;1-ethyl-2-propylpyrrolidine
CID 143005022

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-methyl-2-propylpiperidin-4-ol?
The IUPAC name of (2S,4R)-1-methyl-2-propylpiperidin-4-ol (CID 130992897) is (2S,4R)-1-methyl-2-propylpiperidin-4-ol.
What is the SMILES notation for (2S,4R)-1-methyl-2-propylpiperidin-4-ol?
The canonical SMILES for (2S,4R)-1-methyl-2-propylpiperidin-4-ol is CCC[C@H]1C[C@H](O)CCN1C.
What is the InChIKey of (2S,4R)-1-methyl-2-propylpiperidin-4-ol?
The InChIKey is IJAJMWAKXBFNTQ-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H19NO/c1-3-4-8-7-9(11)5-6-10(8)2/h8-9,11H,3-7H2,1-2H3/t8-,9+/m0/s1.
What are the key properties of (2S,4R)-1-methyl-2-propylpiperidin-4-ol?
(2S,4R)-1-methyl-2-propylpiperidin-4-ol has a molecular weight of 157.26 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-methyl-2-propylpiperidin-4-ol is sourced from PubChem (CID 130992897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).