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

C9H19NO — CID 45083194

IUPAC(3S,6R)-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+/m1/s1
InChIKeyMSYUGRASNIEUCW-BDAKNGLRSA-N
MW157.26 g/mol
LogP1.24
Rot. Bonds2

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

(3S,6R)-1-methyl-6-propylpiperidin-3-ol (PubChem CID 45083194) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (3S,6R)-1-methyl-6-propylpiperidin-3-ol.

Molecular Properties

Compound Name(3S,6R)-1-methyl-6-propylpiperidin-3-ol
PubChem CID45083194
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(3S,6R)-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+/m1/s1
InChIKeyMSYUGRASNIEUCW-BDAKNGLRSA-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-Piperidineethanol, 1-methyl-
CID 98085
1-(Piperidin-2-yl)propan-1-ol
CID 10314
Cethexonium
CID 110926
(3S,6S)-6-Propyl-3-piperidinol
CID 120641
Conhydrine
CID 11744748
1-(1-Methylpiperidin-2-yl)propan-2-ol
CID 11972082
1-(4-Methylpiperazin-1-yl)hexadecan-2-ol
CID 56835127
N-methyl-2-(2-hydroxybutyl)-6-(2-hydroxypentyl)-piperidine
CID 398123
(2S,3S,5S)-2-(dimethylamino)octadecane-3,5-diol
CID 70692304
1-(4-Butylpiperazin-1-yl)hexadecan-2-ol
CID 57390599
(2R,3S,5R,6S)-2,6-bis(hydroxymethyl)-1-methylpiperidine-3,5-diol
CID 72204015
(2R,3R,5S,6R)-2,6-bis(hydroxymethyl)-1-methylpiperidine-3,5-diol
CID 72204019

Frequently Asked Questions

What is the IUPAC name of (3S,6R)-1-methyl-6-propylpiperidin-3-ol?
The IUPAC name of (3S,6R)-1-methyl-6-propylpiperidin-3-ol (CID 45083194) is (3S,6R)-1-methyl-6-propylpiperidin-3-ol.
What is the SMILES notation for (3S,6R)-1-methyl-6-propylpiperidin-3-ol?
The canonical SMILES for (3S,6R)-1-methyl-6-propylpiperidin-3-ol is CCC[C@@H]1CC[C@H](O)CN1C.
What is the InChIKey of (3S,6R)-1-methyl-6-propylpiperidin-3-ol?
The InChIKey is MSYUGRASNIEUCW-BDAKNGLRSA-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+/m1/s1.
What are the key properties of (3S,6R)-1-methyl-6-propylpiperidin-3-ol?
(3S,6R)-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,6R)-1-methyl-6-propylpiperidin-3-ol is sourced from PubChem (CID 45083194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).