2-(4-methoxy-1-propan-2-ylpiperidin-4-yl)-N-methylethanamine

C12H26N2O — CID 112716671

IUPAC2-(4-methoxy-1-propan-2-ylpiperidin-4-yl)-N-methylethanamine
SMILESCNCCC1(OC)CCN(C(C)C)CC1
InChIInChI=1S/C12H26N2O/c1-11(2)14-9-6-12(15-4,7-10-14)5-8-13-3/h11,13H,5-10H2,1-4H3
InChIKeyQKGNQBHCAIQCHG-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.49
Rot. Bonds5

About 2-(4-methoxy-1-propan-2-ylpiperidin-4-yl)-N-methylethanamine

2-(4-methoxy-1-propan-2-ylpiperidin-4-yl)-N-methylethanamine (PubChem CID 112716671) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-(4-methoxy-1-propan-2-ylpiperidin-4-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-methoxy-1-propan-2-ylpiperidin-4-yl)-N-methylethanamine
PubChem CID112716671
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name2-(4-methoxy-1-propan-2-ylpiperidin-4-yl)-N-methylethanamine
SMILESCNCCC1(OC)CCN(C(C)C)CC1
InChIInChI=1S/C12H26N2O/c1-11(2)14-9-6-12(15-4,7-10-14)5-8-13-3/h11,13H,5-10H2,1-4H3
InChIKeyQKGNQBHCAIQCHG-UHFFFAOYSA-N
XLogP1.49
TPSA24.50 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 ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxy-1-propan-2-ylpiperidin-4-yl)methanamine
CID 83907040
2-(4-methoxythian-4-yl)-N-methylethanamine
CID 83907265
2-(4-methoxy-1-propan-2-ylpiperidin-4-yl)acetic acid
CID 105468786
N'-[2-(1-methoxycyclobutyl)ethyl]-N-methylethane-1,2-diamine
CID 103556559
N-methyl-4-(4-propan-2-ylpiperazin-1-yl)pentan-1-amine
CID 62431627
4-(methylaminomethyl)-1-propan-2-ylpiperidin-4-ol
CID 39237893
1-methoxy-1-(4-methylpentyl)cyclopentane
CID 21337503
N-methyl-1-(7-propan-2-yl-7-azaspiro[3.5]nonan-2-yl)methanamine
CID 170211191
N-methyl-2-(2-methyl-1-propan-2-ylpiperidin-2-yl)ethanamine
CID 167202076
4-fluoro-4-(methoxymethyl)-1-propan-2-ylpiperidine
CID 167239675
1-propan-2-yl-4,4-dipropylpiperidine
CID 89468851
ethane;4-methyl-1-propan-2-yl-N-propylpiperidin-4-amine
CID 170571754

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-1-propan-2-ylpiperidin-4-yl)-N-methylethanamine?
The IUPAC name of 2-(4-methoxy-1-propan-2-ylpiperidin-4-yl)-N-methylethanamine (CID 112716671) is 2-(4-methoxy-1-propan-2-ylpiperidin-4-yl)-N-methylethanamine.
What is the SMILES notation for 2-(4-methoxy-1-propan-2-ylpiperidin-4-yl)-N-methylethanamine?
The canonical SMILES for 2-(4-methoxy-1-propan-2-ylpiperidin-4-yl)-N-methylethanamine is CNCCC1(OC)CCN(C(C)C)CC1.
What is the InChIKey of 2-(4-methoxy-1-propan-2-ylpiperidin-4-yl)-N-methylethanamine?
The InChIKey is QKGNQBHCAIQCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-11(2)14-9-6-12(15-4,7-10-14)5-8-13-3/h11,13H,5-10H2,1-4H3.
What are the key properties of 2-(4-methoxy-1-propan-2-ylpiperidin-4-yl)-N-methylethanamine?
2-(4-methoxy-1-propan-2-ylpiperidin-4-yl)-N-methylethanamine has a molecular weight of 214.35 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-1-propan-2-ylpiperidin-4-yl)-N-methylethanamine is sourced from PubChem (CID 112716671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).