2-methoxy-3-(4-propan-2-ylpiperidin-1-yl)propan-1-amine

C12H26N2O — CID 106115086

IUPAC2-methoxy-3-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
SMILESCOC(CN)CN1CCC(C(C)C)CC1
InChIInChI=1S/C12H26N2O/c1-10(2)11-4-6-14(7-5-11)9-12(8-13)15-3/h10-12H,4-9,13H2,1-3H3
InChIKeyOVJCPTNYRRWVBS-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.33
Rot. Bonds5

About 2-methoxy-3-(4-propan-2-ylpiperidin-1-yl)propan-1-amine

2-methoxy-3-(4-propan-2-ylpiperidin-1-yl)propan-1-amine (PubChem CID 106115086) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-methoxy-3-(4-propan-2-ylpiperidin-1-yl)propan-1-amine.

Molecular Properties

Compound Name2-methoxy-3-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
PubChem CID106115086
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name2-methoxy-3-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
SMILESCOC(CN)CN1CCC(C(C)C)CC1
InChIInChI=1S/C12H26N2O/c1-10(2)11-4-6-14(7-5-11)9-12(8-13)15-3/h10-12H,4-9,13H2,1-3H3
InChIKeyOVJCPTNYRRWVBS-UHFFFAOYSA-N
XLogP1.33
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-3-[4-(trifluoromethyl)piperidin-1-yl]propan-1-amine
CID 106114907
1-amino-3-(4-propan-2-ylpiperidin-1-yl)propan-2-ol
CID 103494900
2-methoxy-3-(3-methoxypiperidin-1-yl)propan-1-amine
CID 106115075
3-methyl-4-(4-propan-2-ylpiperidin-1-yl)butan-1-amine
CID 103497335
3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-methoxypropan-1-amine
CID 106114808
4-methyl-5-(4-propan-2-ylpiperidin-1-yl)pentan-1-amine
CID 103497584
3-methyl-1-(4-propan-2-ylpiperidin-1-yl)pentan-2-ol
CID 103501727
2-methoxy-4-(3-methoxypyrrolidin-1-yl)butan-1-amine
CID 103534710
2-methoxy-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 106114423
4-(1-chloroethyl)-1-(2-methoxypropyl)piperidine
CID 106837993
2-methoxy-3-(2-propylpiperidin-1-yl)propan-1-amine
CID 106114983
2-methoxy-3-(3,3,4-trimethylpiperazin-1-yl)propan-1-amine
CID 106114835

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-(4-propan-2-ylpiperidin-1-yl)propan-1-amine?
The IUPAC name of 2-methoxy-3-(4-propan-2-ylpiperidin-1-yl)propan-1-amine (CID 106115086) is 2-methoxy-3-(4-propan-2-ylpiperidin-1-yl)propan-1-amine.
What is the SMILES notation for 2-methoxy-3-(4-propan-2-ylpiperidin-1-yl)propan-1-amine?
The canonical SMILES for 2-methoxy-3-(4-propan-2-ylpiperidin-1-yl)propan-1-amine is COC(CN)CN1CCC(C(C)C)CC1.
What is the InChIKey of 2-methoxy-3-(4-propan-2-ylpiperidin-1-yl)propan-1-amine?
The InChIKey is OVJCPTNYRRWVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-10(2)11-4-6-14(7-5-11)9-12(8-13)15-3/h10-12H,4-9,13H2,1-3H3.
What are the key properties of 2-methoxy-3-(4-propan-2-ylpiperidin-1-yl)propan-1-amine?
2-methoxy-3-(4-propan-2-ylpiperidin-1-yl)propan-1-amine has a molecular weight of 214.35 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-(4-propan-2-ylpiperidin-1-yl)propan-1-amine is sourced from PubChem (CID 106115086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).