(2S,3S,6R)-2-methyl-6-propylpiperidin-3-ol

C9H19NO — CID 11790065

IUPAC(2S,3S,6R)-2-methyl-6-propylpiperidin-3-ol
SMILESCCC[C@@H]1CC[C@H](O)[C@H](C)N1
InChIInChI=1S/C9H19NO/c1-3-4-8-5-6-9(11)7(2)10-8/h7-11H,3-6H2,1-2H3/t7-,8+,9-/m0/s1
InChIKeyILDWBLUXUZCBHO-YIZRAAEISA-N
MW157.26 g/mol
LogP1.29
Rot. Bonds2

About (2S,3S,6R)-2-methyl-6-propylpiperidin-3-ol

(2S,3S,6R)-2-methyl-6-propylpiperidin-3-ol (PubChem CID 11790065) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (2S,3S,6R)-2-methyl-6-propylpiperidin-3-ol.

Molecular Properties

Compound Name(2S,3S,6R)-2-methyl-6-propylpiperidin-3-ol
PubChem CID11790065
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(2S,3S,6R)-2-methyl-6-propylpiperidin-3-ol
SMILESCCC[C@@H]1CC[C@H](O)[C@H](C)N1
InChIInChI=1S/C9H19NO/c1-3-4-8-5-6-9(11)7(2)10-8/h7-11H,3-6H2,1-2H3/t7-,8+,9-/m0/s1
InChIKeyILDWBLUXUZCBHO-YIZRAAEISA-N
XLogP1.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-5-propylpyrrolidin-3-ol
CID 102568650
(2S,3S,6R)-6-(12-hydroxydodecyl)-2-methylpiperidin-3-ol
CID 100961122
(2R)-2,5-dipropylpyrrolidine
CID 143543976
(2R,3R,6S)-6-[(10S)-10-hydroxydodecyl]-2-methylpiperidin-3-ol
CID 162990580
12-[(2S,5S,6S)-5-hydroxy-6-methylpiperidin-2-yl]dodecan-2-one
CID 11130276
(2R,5R)-2-pentyl-5-propylpyrrolidine
CID 10846548
(Z)-14-[(2R,5S,6S)-5-hydroxy-6-methylpiperidin-2-yl]-2-[10-[(2R,5S,6S)-5-hydroxy-6-methylpiperidin-2-yl]decyl]tetradec-2-enal
CID 11226973
4-(5-propylpyrrolidin-2-yl)phenol
CID 143549456
(6S)-2-methyl-6-propylpiperidine;hydrochloride
CID 70018232
(2R,3R,6S)-6-[10-[8-[10-[(2S,5R,6R)-5-hydroxy-6-methylpiperidin-2-yl]decyl]-2,3-dihydro-1H-indolizin-4-ium-6-yl]decyl]-2-methylpiperidin-3-ol
CID 14335265
6-[10-[8-[10-(5-hydroxy-6-methylpiperidin-2-yl)decyl]-2,3-dihydro-1H-indolizin-4-ium-6-yl]decyl]-2-methylpiperidin-3-ol
CID 14335261
(2S,3S,6R)-6-[10-[8-[10-[(2R,5S,6S)-5-hydroxy-6-methylpiperidin-2-yl]decyl]-1H-indolizin-4-ium-6-yl]decyl]-2-methylpiperidin-3-ol
CID 102153657

Frequently Asked Questions

What is the IUPAC name of (2S,3S,6R)-2-methyl-6-propylpiperidin-3-ol?
The IUPAC name of (2S,3S,6R)-2-methyl-6-propylpiperidin-3-ol (CID 11790065) is (2S,3S,6R)-2-methyl-6-propylpiperidin-3-ol.
What is the SMILES notation for (2S,3S,6R)-2-methyl-6-propylpiperidin-3-ol?
The canonical SMILES for (2S,3S,6R)-2-methyl-6-propylpiperidin-3-ol is CCC[C@@H]1CC[C@H](O)[C@H](C)N1.
What is the InChIKey of (2S,3S,6R)-2-methyl-6-propylpiperidin-3-ol?
The InChIKey is ILDWBLUXUZCBHO-YIZRAAEISA-N. The full InChI is InChI=1S/C9H19NO/c1-3-4-8-5-6-9(11)7(2)10-8/h7-11H,3-6H2,1-2H3/t7-,8+,9-/m0/s1.
What are the key properties of (2S,3S,6R)-2-methyl-6-propylpiperidin-3-ol?
(2S,3S,6R)-2-methyl-6-propylpiperidin-3-ol has a molecular weight of 157.26 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,6R)-2-methyl-6-propylpiperidin-3-ol is sourced from PubChem (CID 11790065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).