(3S)-1-(2,2-dimethoxyethyl)-3-piperidin-1-ylpiperidine

C14H28N2O2 — CID 99856888

IUPAC(3S)-1-(2,2-dimethoxyethyl)-3-piperidin-1-ylpiperidine
SMILESCOC(CN1CCC[C@H](N2CCCCC2)C1)OC
InChIInChI=1S/C14H28N2O2/c1-17-14(18-2)12-15-8-6-7-13(11-15)16-9-4-3-5-10-16/h13-14H,3-12H2,1-2H3/t13-/m0/s1
InChIKeyFIPOFJGTKZRYAT-ZDUSSCGKSA-N
MW256.39 g/mol
LogP1.56
Rot. Bonds5

About (3S)-1-(2,2-dimethoxyethyl)-3-piperidin-1-ylpiperidine

(3S)-1-(2,2-dimethoxyethyl)-3-piperidin-1-ylpiperidine (PubChem CID 99856888) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is (3S)-1-(2,2-dimethoxyethyl)-3-piperidin-1-ylpiperidine.

Molecular Properties

Compound Name(3S)-1-(2,2-dimethoxyethyl)-3-piperidin-1-ylpiperidine
PubChem CID99856888
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name(3S)-1-(2,2-dimethoxyethyl)-3-piperidin-1-ylpiperidine
SMILESCOC(CN1CCC[C@H](N2CCCCC2)C1)OC
InChIInChI=1S/C14H28N2O2/c1-17-14(18-2)12-15-8-6-7-13(11-15)16-9-4-3-5-10-16/h13-14H,3-12H2,1-2H3/t13-/m0/s1
InChIKeyFIPOFJGTKZRYAT-ZDUSSCGKSA-N
XLogP1.56
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(2,2-dimethoxyethyl)-4-piperidin-1-ylpiperidine
CID 66223606
3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-methoxypropan-1-amine
CID 106114808
1-[1-(2,2-dimethoxyethyl)pyrrolidin-3-yl]piperazine
CID 112739446
1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)butan-2-amine
CID 63150745
1-(2,2-dimethoxyethyl)-3-ethylpiperidine
CID 66221675
(2R)-1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)propan-2-amine
CID 103934627
(3R)-1-ethyl-3-(4-piperidin-1-ylpiperidin-1-yl)piperidine
CID 39801895
4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-3-methylbutan-1-amine
CID 80544084
2-(2-piperidin-1-ylethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 127337010
(2S)-1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propan-2-ol
CID 103935255
(2S)-1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-2-amine
CID 103934754
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-1-cyclopentyl-N-methylethanamine
CID 104746104

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2,2-dimethoxyethyl)-3-piperidin-1-ylpiperidine?
The IUPAC name of (3S)-1-(2,2-dimethoxyethyl)-3-piperidin-1-ylpiperidine (CID 99856888) is (3S)-1-(2,2-dimethoxyethyl)-3-piperidin-1-ylpiperidine.
What is the SMILES notation for (3S)-1-(2,2-dimethoxyethyl)-3-piperidin-1-ylpiperidine?
The canonical SMILES for (3S)-1-(2,2-dimethoxyethyl)-3-piperidin-1-ylpiperidine is COC(CN1CCC[C@H](N2CCCCC2)C1)OC.
What is the InChIKey of (3S)-1-(2,2-dimethoxyethyl)-3-piperidin-1-ylpiperidine?
The InChIKey is FIPOFJGTKZRYAT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-17-14(18-2)12-15-8-6-7-13(11-15)16-9-4-3-5-10-16/h13-14H,3-12H2,1-2H3/t13-/m0/s1.
What are the key properties of (3S)-1-(2,2-dimethoxyethyl)-3-piperidin-1-ylpiperidine?
(3S)-1-(2,2-dimethoxyethyl)-3-piperidin-1-ylpiperidine has a molecular weight of 256.39 g/mol, XLogP of 1.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2,2-dimethoxyethyl)-3-piperidin-1-ylpiperidine is sourced from PubChem (CID 99856888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).