2-[2-[4-[2-[4-(methoxymethyl)piperidin-1-yl]propoxymethyl]piperidin-1-yl]propyl]-6-propan-2-yl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine

C29H56N4O2 — CID 134555242

IUPAC2-[2-[4-[2-[4-(methoxymethyl)piperidin-1-yl]propoxymethyl]piperidin-1-yl]propyl]-6-propan-2-yl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine
SMILESCOCC1CCN(C(C)COCC2CCN(C(C)CC3CC4CCN(C(C)C)CC4N3)CC2)CC1
InChIInChI=1S/C29H56N4O2/c1-22(2)33-15-10-27-17-28(30-29(27)18-33)16-23(3)31-11-8-26(9-12-31)21-35-19-24(4)32-13-6-25(7-14-32)20-34-5/h22-30H,6-21H2,1-5H3
InChIKeyLPYKTXVWKDGGEE-UHFFFAOYSA-N
MW492.79 g/mol
LogP3.70
Rot. Bonds11

About 2-[2-[4-[2-[4-(methoxymethyl)piperidin-1-yl]propoxymethyl]piperidin-1-yl]propyl]-6-propan-2-yl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine

2-[2-[4-[2-[4-(methoxymethyl)piperidin-1-yl]propoxymethyl]piperidin-1-yl]propyl]-6-propan-2-yl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine (PubChem CID 134555242) has the molecular formula C29H56N4O2 and a molecular weight of 492.79 g/mol. Its IUPAC name is 2-[2-[4-[2-[4-(methoxymethyl)piperidin-1-yl]propoxymethyl]piperidin-1-yl]propyl]-6-propan-2-yl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name2-[2-[4-[2-[4-(methoxymethyl)piperidin-1-yl]propoxymethyl]piperidin-1-yl]propyl]-6-propan-2-yl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine
PubChem CID134555242
Molecular FormulaC29H56N4O2
Molecular Weight492.79 g/mol
Exact Mass492.44
IUPAC Name2-[2-[4-[2-[4-(methoxymethyl)piperidin-1-yl]propoxymethyl]piperidin-1-yl]propyl]-6-propan-2-yl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine
SMILESCOCC1CCN(C(C)COCC2CCN(C(C)CC3CC4CCN(C(C)C)CC4N3)CC2)CC1
InChIInChI=1S/C29H56N4O2/c1-22(2)33-15-10-27-17-28(30-29(27)18-33)16-23(3)31-11-8-26(9-12-31)21-35-19-24(4)32-13-6-25(7-14-32)20-34-5/h22-30H,6-21H2,1-5H3
InChIKeyLPYKTXVWKDGGEE-UHFFFAOYSA-N
XLogP3.70
TPSA40.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.79
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-[4-[2-[4-(methoxymethyl)piperidin-1-yl]propoxymethyl]piperidin-1-yl]propyl]-6-propan-2-yl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine with MolForge

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Related Compounds

3-[4-(methoxymethyl)piperidin-1-yl]butan-1-amine
CID 63971694
(3S)-3-(methoxymethyl)-1-propan-2-ylpiperidine
CID 167395488
methanol;3-(methoxymethyl)-1-propan-2-ylpiperidine
CID 172576332
(3aR)-6-propan-2-yl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine
CID 166764383
4-[3-(methoxymethyl)pyrrolidin-1-yl]pentan-2-amine
CID 64705792
7-[2-(1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl)propyl]-2-propan-2-yl-2,8-diazaspiro[3.5]nonane
CID 129229164
3-[4-(methoxymethyl)piperidin-1-yl]butan-2-amine
CID 63974033
3-[2-[3-[2-(azetidin-1-yl)propyl]pyrrolidin-1-yl]propyl]-1-propan-2-ylpiperidine
CID 146610244
2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
CID 66470223
4-(butoxymethyl)-1-propan-2-ylpiperidine
CID 176984206
3,3-difluoro-1-[1-[(1-propan-2-ylazetidin-3-yl)methoxy]propan-2-yl]azetidine
CID 155460827
2-(1-propan-2-ylpyrrolidin-3-yl)acetaldehyde
CID 84763666

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[2-[4-(methoxymethyl)piperidin-1-yl]propoxymethyl]piperidin-1-yl]propyl]-6-propan-2-yl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine?
The IUPAC name of 2-[2-[4-[2-[4-(methoxymethyl)piperidin-1-yl]propoxymethyl]piperidin-1-yl]propyl]-6-propan-2-yl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine (CID 134555242) is 2-[2-[4-[2-[4-(methoxymethyl)piperidin-1-yl]propoxymethyl]piperidin-1-yl]propyl]-6-propan-2-yl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine.
What is the SMILES notation for 2-[2-[4-[2-[4-(methoxymethyl)piperidin-1-yl]propoxymethyl]piperidin-1-yl]propyl]-6-propan-2-yl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine?
The canonical SMILES for 2-[2-[4-[2-[4-(methoxymethyl)piperidin-1-yl]propoxymethyl]piperidin-1-yl]propyl]-6-propan-2-yl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine is COCC1CCN(C(C)COCC2CCN(C(C)CC3CC4CCN(C(C)C)CC4N3)CC2)CC1.
What is the InChIKey of 2-[2-[4-[2-[4-(methoxymethyl)piperidin-1-yl]propoxymethyl]piperidin-1-yl]propyl]-6-propan-2-yl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine?
The InChIKey is LPYKTXVWKDGGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H56N4O2/c1-22(2)33-15-10-27-17-28(30-29(27)18-33)16-23(3)31-11-8-26(9-12-31)21-35-19-24(4)32-13-6-25(7-14-32)20-34-5/h22-30H,6-21H2,1-5H3.
What are the key properties of 2-[2-[4-[2-[4-(methoxymethyl)piperidin-1-yl]propoxymethyl]piperidin-1-yl]propyl]-6-propan-2-yl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine?
2-[2-[4-[2-[4-(methoxymethyl)piperidin-1-yl]propoxymethyl]piperidin-1-yl]propyl]-6-propan-2-yl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine has a molecular weight of 492.79 g/mol, XLogP of 3.70, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[2-[4-(methoxymethyl)piperidin-1-yl]propoxymethyl]piperidin-1-yl]propyl]-6-propan-2-yl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine is sourced from PubChem (CID 134555242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).