1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol

C19H38N2O2 — CID 110910993

IUPAC1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
SMILESCC1CCN(CC2CCCN(CC(O)COC(C)(C)C)C2)CC1
InChIInChI=1S/C19H38N2O2/c1-16-7-10-20(11-8-16)12-17-6-5-9-21(13-17)14-18(22)15-23-19(2,3)4/h16-18,22H,5-15H2,1-4H3
InChIKeyNPYMCPPLNNXLLL-UHFFFAOYSA-N
MW326.53 g/mol
LogP2.61
Rot. Bonds6

About 1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol

1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol (PubChem CID 110910993) has the molecular formula C19H38N2O2 and a molecular weight of 326.53 g/mol. Its IUPAC name is 1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol.

Molecular Properties

Compound Name1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
PubChem CID110910993
Molecular FormulaC19H38N2O2
Molecular Weight326.53 g/mol
Exact Mass326.29
IUPAC Name1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
SMILESCC1CCN(CC2CCCN(CC(O)COC(C)(C)C)C2)CC1
InChIInChI=1S/C19H38N2O2/c1-16-7-10-20(11-8-16)12-17-6-5-9-21(13-17)14-18(22)15-23-19(2,3)4/h16-18,22H,5-15H2,1-4H3
InChIKeyNPYMCPPLNNXLLL-UHFFFAOYSA-N
XLogP2.61
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.53
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol with MolForge

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Related Compounds

1-(3,5-Dimethylpiperidin-1-yl)-3-(tert-pentyloxy)propan-2-ol hydrochloride
CID 16958190
1-(Tert-butoxy)-3-(3,5-dimethylpiperidin-1-yl)propan-2-ol hydrochloride
CID 18593245
1-(Tert-butoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol hydrochloride
CID 18593246
1-(3-Methyl-1-piperidyl)-3-(tert-pentyloxy)-2-propanol
CID 44117052
1-(3-Methylpiperidin-1-yl)-3-(tert-pentyloxy)propan-2-ol hydrochloride
CID 45283610
(2S)-1-[4-[[methyl(3-morpholin-4-ylpropyl)amino]methyl]piperidin-1-yl]propan-2-ol
CID 97087147
3-(Tert-butoxy)-1-(4-methylpiperidyl)propan-2-ol
CID 16456250
1-[2-Hydroxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propoxy]-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol
CID 20487807
1-[2-Hydroxy-3-(2,2,5,6-tetramethylpiperidin-1-yl)propoxy]-3-(2,2,5,6-tetramethylpiperidin-1-yl)propan-2-ol
CID 70549855
(4,9-Dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-2-yl)methanol
CID 70906469
(2S,6R)-4-ethyl-2-methyl-6-[1-(3-methylbutyl)piperidin-4-yl]morpholin-3-ol
CID 129073771
(2R,6R)-4-ethyl-2-methyl-6-[1-(3-methylbutyl)piperidin-4-yl]morpholin-3-ol
CID 129073958

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The IUPAC name of 1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol (CID 110910993) is 1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol.
What is the SMILES notation for 1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The canonical SMILES for 1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol is CC1CCN(CC2CCCN(CC(O)COC(C)(C)C)C2)CC1.
What is the InChIKey of 1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The InChIKey is NPYMCPPLNNXLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O2/c1-16-7-10-20(11-8-16)12-17-6-5-9-21(13-17)14-18(22)15-23-19(2,3)4/h16-18,22H,5-15H2,1-4H3.
What are the key properties of 1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol has a molecular weight of 326.53 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol is sourced from PubChem (CID 110910993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).