1-(1-methoxypropan-2-yloxy)-3-(2-pyrrolidin-2-ylpiperidin-1-yl)propan-2-ol

C16H32N2O3 — CID 106992573

IUPAC1-(1-methoxypropan-2-yloxy)-3-(2-pyrrolidin-2-ylpiperidin-1-yl)propan-2-ol
SMILESCOCC(C)OCC(O)CN1CCCCC1C1CCCN1
InChIInChI=1S/C16H32N2O3/c1-13(11-20-2)21-12-14(19)10-18-9-4-3-7-16(18)15-6-5-8-17-15/h13-17,19H,3-12H2,1-2H3
InChIKeyLMSZOIBVBDRIFD-UHFFFAOYSA-N
MW300.44 g/mol
LogP1.01
Rot. Bonds8

About 1-(1-methoxypropan-2-yloxy)-3-(2-pyrrolidin-2-ylpiperidin-1-yl)propan-2-ol

1-(1-methoxypropan-2-yloxy)-3-(2-pyrrolidin-2-ylpiperidin-1-yl)propan-2-ol (PubChem CID 106992573) has the molecular formula C16H32N2O3 and a molecular weight of 300.44 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yloxy)-3-(2-pyrrolidin-2-ylpiperidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yloxy)-3-(2-pyrrolidin-2-ylpiperidin-1-yl)propan-2-ol
PubChem CID106992573
Molecular FormulaC16H32N2O3
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC Name1-(1-methoxypropan-2-yloxy)-3-(2-pyrrolidin-2-ylpiperidin-1-yl)propan-2-ol
SMILESCOCC(C)OCC(O)CN1CCCCC1C1CCCN1
InChIInChI=1S/C16H32N2O3/c1-13(11-20-2)21-12-14(19)10-18-9-4-3-7-16(18)15-6-5-8-17-15/h13-17,19H,3-12H2,1-2H3
InChIKeyLMSZOIBVBDRIFD-UHFFFAOYSA-N
XLogP1.01
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-propan-2-yloxy-3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propan-2-ol
CID 63989070
1-(2-pyrrolidin-2-ylpiperidin-1-yl)butan-2-ol
CID 63254458
1-butoxy-3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propan-2-ol
CID 107264156
1-(2-ethylpiperidin-1-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991719
1-[2-(2-hydroxypropyl)azepan-1-yl]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106993188
1-(1-methoxypropan-2-yloxy)-3-[2-[1-(methylamino)ethyl]piperidin-1-yl]propan-2-ol
CID 106988201
3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propane-1,2-diol
CID 82850475
1-[2-(2-aminoethyl)piperidin-1-yl]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106992593
1-[1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperidin-2-yl]propan-2-one
CID 106990753
1-[2-(aminomethyl)-3-methylpiperidin-1-yl]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106992598
1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-3-methylpiperidine-2-carboxylic acid
CID 107072174
(2R)-1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 129413626

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-yloxy)-3-(2-pyrrolidin-2-ylpiperidin-1-yl)propan-2-ol?
The IUPAC name of 1-(1-methoxypropan-2-yloxy)-3-(2-pyrrolidin-2-ylpiperidin-1-yl)propan-2-ol (CID 106992573) is 1-(1-methoxypropan-2-yloxy)-3-(2-pyrrolidin-2-ylpiperidin-1-yl)propan-2-ol.
What is the SMILES notation for 1-(1-methoxypropan-2-yloxy)-3-(2-pyrrolidin-2-ylpiperidin-1-yl)propan-2-ol?
The canonical SMILES for 1-(1-methoxypropan-2-yloxy)-3-(2-pyrrolidin-2-ylpiperidin-1-yl)propan-2-ol is COCC(C)OCC(O)CN1CCCCC1C1CCCN1.
What is the InChIKey of 1-(1-methoxypropan-2-yloxy)-3-(2-pyrrolidin-2-ylpiperidin-1-yl)propan-2-ol?
The InChIKey is LMSZOIBVBDRIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3/c1-13(11-20-2)21-12-14(19)10-18-9-4-3-7-16(18)15-6-5-8-17-15/h13-17,19H,3-12H2,1-2H3.
What are the key properties of 1-(1-methoxypropan-2-yloxy)-3-(2-pyrrolidin-2-ylpiperidin-1-yl)propan-2-ol?
1-(1-methoxypropan-2-yloxy)-3-(2-pyrrolidin-2-ylpiperidin-1-yl)propan-2-ol has a molecular weight of 300.44 g/mol, XLogP of 1.01, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropan-2-yloxy)-3-(2-pyrrolidin-2-ylpiperidin-1-yl)propan-2-ol is sourced from PubChem (CID 106992573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).