1-(1-methoxypropan-2-yloxy)-3-[piperidin-2-ylmethyl(propan-2-yl)amino]propan-2-ol

C16H34N2O3 — CID 106992774

IUPAC1-(1-methoxypropan-2-yloxy)-3-[piperidin-2-ylmethyl(propan-2-yl)amino]propan-2-ol
SMILESCOCC(C)OCC(O)CN(CC1CCCCN1)C(C)C
InChIInChI=1S/C16H34N2O3/c1-13(2)18(9-15-7-5-6-8-17-15)10-16(19)12-21-14(3)11-20-4/h13-17,19H,5-12H2,1-4H3
InChIKeyDHDNEHCDEZCGIP-UHFFFAOYSA-N
MW302.46 g/mol
LogP1.25
Rot. Bonds10

About 1-(1-methoxypropan-2-yloxy)-3-[piperidin-2-ylmethyl(propan-2-yl)amino]propan-2-ol

1-(1-methoxypropan-2-yloxy)-3-[piperidin-2-ylmethyl(propan-2-yl)amino]propan-2-ol (PubChem CID 106992774) has the molecular formula C16H34N2O3 and a molecular weight of 302.46 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yloxy)-3-[piperidin-2-ylmethyl(propan-2-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yloxy)-3-[piperidin-2-ylmethyl(propan-2-yl)amino]propan-2-ol
PubChem CID106992774
Molecular FormulaC16H34N2O3
Molecular Weight302.46 g/mol
Exact Mass302.26
IUPAC Name1-(1-methoxypropan-2-yloxy)-3-[piperidin-2-ylmethyl(propan-2-yl)amino]propan-2-ol
SMILESCOCC(C)OCC(O)CN(CC1CCCCN1)C(C)C
InChIInChI=1S/C16H34N2O3/c1-13(2)18(9-15-7-5-6-8-17-15)10-16(19)12-21-14(3)11-20-4/h13-17,19H,5-12H2,1-4H3
InChIKeyDHDNEHCDEZCGIP-UHFFFAOYSA-N
XLogP1.25
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-2-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106603209
(2R)-1-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propan-2-ol
CID 106933690
2-methyl-3-[piperidin-2-ylmethyl(propan-2-yl)amino]propanamide
CID 106632099
2-methyl-3-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propan-1-ol
CID 106614823
N-(1-methoxypropan-2-yl)-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605152
N-(azepan-2-ylmethyl)-1-cyclopropyl-N-(2-methoxyethyl)ethanamine
CID 64570567
N-ethyl-N-[[(2S)-piperidin-2-yl]methyl]propan-2-amine;molecular hydrogen
CID 164555849
ethyl 2-methyl-3-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propanoate
CID 106614541
2-methoxy-N-(piperidin-2-ylmethyl)-N-propan-2-ylacetamide
CID 106626574
N-(1-cyclopropyl-2-methoxyethyl)-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106622043
N-[2-(2-methoxyethoxy)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106614604
1-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 106616449

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-yloxy)-3-[piperidin-2-ylmethyl(propan-2-yl)amino]propan-2-ol?
The IUPAC name of 1-(1-methoxypropan-2-yloxy)-3-[piperidin-2-ylmethyl(propan-2-yl)amino]propan-2-ol (CID 106992774) is 1-(1-methoxypropan-2-yloxy)-3-[piperidin-2-ylmethyl(propan-2-yl)amino]propan-2-ol.
What is the SMILES notation for 1-(1-methoxypropan-2-yloxy)-3-[piperidin-2-ylmethyl(propan-2-yl)amino]propan-2-ol?
The canonical SMILES for 1-(1-methoxypropan-2-yloxy)-3-[piperidin-2-ylmethyl(propan-2-yl)amino]propan-2-ol is COCC(C)OCC(O)CN(CC1CCCCN1)C(C)C.
What is the InChIKey of 1-(1-methoxypropan-2-yloxy)-3-[piperidin-2-ylmethyl(propan-2-yl)amino]propan-2-ol?
The InChIKey is DHDNEHCDEZCGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O3/c1-13(2)18(9-15-7-5-6-8-17-15)10-16(19)12-21-14(3)11-20-4/h13-17,19H,5-12H2,1-4H3.
What are the key properties of 1-(1-methoxypropan-2-yloxy)-3-[piperidin-2-ylmethyl(propan-2-yl)amino]propan-2-ol?
1-(1-methoxypropan-2-yloxy)-3-[piperidin-2-ylmethyl(propan-2-yl)amino]propan-2-ol has a molecular weight of 302.46 g/mol, XLogP of 1.25, 10 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-[piperidin-2-ylmethyl(propan-2-yl)amino]propan-2-ol is sourced from PubChem (CID 106992774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).