(3S,6S)-1-methyl-6-propylpiperidin-3-ol

C9H19NO — CID 11051917

IUPAC(3S,6S)-1-methyl-6-propylpiperidin-3-ol
SMILESCCC[C@H]1CC[C@H](O)CN1C
InChIInChI=1S/C9H19NO/c1-3-4-8-5-6-9(11)7-10(8)2/h8-9,11H,3-7H2,1-2H3/t8-,9-/m0/s1
InChIKeyMSYUGRASNIEUCW-IUCAKERBSA-N
MW157.26 g/mol
LogP1.24
Rot. Bonds2

About (3S,6S)-1-methyl-6-propylpiperidin-3-ol

(3S,6S)-1-methyl-6-propylpiperidin-3-ol (PubChem CID 11051917) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (3S,6S)-1-methyl-6-propylpiperidin-3-ol.

Molecular Properties

Compound Name(3S,6S)-1-methyl-6-propylpiperidin-3-ol
PubChem CID11051917
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(3S,6S)-1-methyl-6-propylpiperidin-3-ol
SMILESCCC[C@H]1CC[C@H](O)CN1C
InChIInChI=1S/C9H19NO/c1-3-4-8-5-6-9(11)7-10(8)2/h8-9,11H,3-7H2,1-2H3/t8-,9-/m0/s1
InChIKeyMSYUGRASNIEUCW-IUCAKERBSA-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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Frequently Asked Questions

What is the IUPAC name of (3S,6S)-1-methyl-6-propylpiperidin-3-ol?
The IUPAC name of (3S,6S)-1-methyl-6-propylpiperidin-3-ol (CID 11051917) is (3S,6S)-1-methyl-6-propylpiperidin-3-ol.
What is the SMILES notation for (3S,6S)-1-methyl-6-propylpiperidin-3-ol?
The canonical SMILES for (3S,6S)-1-methyl-6-propylpiperidin-3-ol is CCC[C@H]1CC[C@H](O)CN1C.
What is the InChIKey of (3S,6S)-1-methyl-6-propylpiperidin-3-ol?
The InChIKey is MSYUGRASNIEUCW-IUCAKERBSA-N. The full InChI is InChI=1S/C9H19NO/c1-3-4-8-5-6-9(11)7-10(8)2/h8-9,11H,3-7H2,1-2H3/t8-,9-/m0/s1.
What are the key properties of (3S,6S)-1-methyl-6-propylpiperidin-3-ol?
(3S,6S)-1-methyl-6-propylpiperidin-3-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 (3S,6S)-1-methyl-6-propylpiperidin-3-ol is sourced from PubChem (CID 11051917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).