(2S)-1-[(2S,6S)-6-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]piperidin-2-yl]pentan-2-ol

C17H33NO3 — CID 11551163

IUPAC(2S)-1-[(2S,6S)-6-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]piperidin-2-yl]pentan-2-ol
SMILESCCC[C@H](O)C[C@@H]1CCC[C@@H](CCCC2(C)OCCO2)N1
InChIInChI=1S/C17H33NO3/c1-3-6-16(19)13-15-8-4-7-14(18-15)9-5-10-17(2)20-11-12-21-17/h14-16,18-19H,3-13H2,1-2H3/t14-,15-,16-/m0/s1
InChIKeyMPQHRECLBBWGNC-JYJNAYRXSA-N
MW299.46 g/mol
LogP2.98
Rot. Bonds8

About (2S)-1-[(2S,6S)-6-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]piperidin-2-yl]pentan-2-ol

(2S)-1-[(2S,6S)-6-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]piperidin-2-yl]pentan-2-ol (PubChem CID 11551163) has the molecular formula C17H33NO3 and a molecular weight of 299.46 g/mol. Its IUPAC name is (2S)-1-[(2S,6S)-6-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]piperidin-2-yl]pentan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(2S,6S)-6-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]piperidin-2-yl]pentan-2-ol
PubChem CID11551163
Molecular FormulaC17H33NO3
Molecular Weight299.46 g/mol
Exact Mass299.25
IUPAC Name(2S)-1-[(2S,6S)-6-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]piperidin-2-yl]pentan-2-ol
SMILESCCC[C@H](O)C[C@@H]1CCC[C@@H](CCCC2(C)OCCO2)N1
InChIInChI=1S/C17H33NO3/c1-3-6-16(19)13-15-8-4-7-14(18-15)9-5-10-17(2)20-11-12-21-17/h14-16,18-19H,3-13H2,1-2H3/t14-,15-,16-/m0/s1
InChIKeyMPQHRECLBBWGNC-JYJNAYRXSA-N
XLogP2.98
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-1-[(2S,6S)-6-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]piperidin-2-yl]pentan-2-ol with MolForge

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Related Compounds

(2S)-1-[(2R,6S)-6-[(2R)-2-hydroxypentyl]piperidin-2-yl]pentan-2-ol
CID 11021533
(2R)-1-[(2S,6R)-6-[(2R)-2-hydroxyhexyl]piperidin-2-yl]hexan-2-ol
CID 11108896
1-pyrrolidin-2-ylpentan-2-ol
CID 90756268
(3S)-1-[(2R,6R)-6-propylpiperidin-2-yl]heptan-3-ol
CID 10399452
(2S,6R)-2-butyl-6-hexylpiperidine
CID 139750067
2-methyl-6-(2-methyl-1,3-dioxolan-2-yl)hexan-3-ol
CID 14689313
1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-2-ol
CID 57409905
2-methyl-2-nonyl-1,3-dioxolane
CID 10013506
1-piperidin-2-ylheptan-2-ol
CID 14021662
acetic acid;but-1-ene;ethane;methane;1-pyrrolidin-2-ylpentan-2-ol
CID 142059097
(2R,5S)-2,5-dipentylpyrrolidine
CID 15831903
6-octylpiperidine-2-carboxylic acid
CID 112574283

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S,6S)-6-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]piperidin-2-yl]pentan-2-ol?
The IUPAC name of (2S)-1-[(2S,6S)-6-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]piperidin-2-yl]pentan-2-ol (CID 11551163) is (2S)-1-[(2S,6S)-6-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]piperidin-2-yl]pentan-2-ol.
What is the SMILES notation for (2S)-1-[(2S,6S)-6-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]piperidin-2-yl]pentan-2-ol?
The canonical SMILES for (2S)-1-[(2S,6S)-6-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]piperidin-2-yl]pentan-2-ol is CCC[C@H](O)C[C@@H]1CCC[C@@H](CCCC2(C)OCCO2)N1.
What is the InChIKey of (2S)-1-[(2S,6S)-6-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]piperidin-2-yl]pentan-2-ol?
The InChIKey is MPQHRECLBBWGNC-JYJNAYRXSA-N. The full InChI is InChI=1S/C17H33NO3/c1-3-6-16(19)13-15-8-4-7-14(18-15)9-5-10-17(2)20-11-12-21-17/h14-16,18-19H,3-13H2,1-2H3/t14-,15-,16-/m0/s1.
What are the key properties of (2S)-1-[(2S,6S)-6-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]piperidin-2-yl]pentan-2-ol?
(2S)-1-[(2S,6S)-6-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]piperidin-2-yl]pentan-2-ol has a molecular weight of 299.46 g/mol, XLogP of 2.98, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S,6S)-6-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]piperidin-2-yl]pentan-2-ol is sourced from PubChem (CID 11551163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).