N-methyl-2-[1-(4-propan-2-yloxypyrimidin-2-yl)piperidin-4-yl]ethanamine

C15H26N4O — CID 115975402

IUPACN-methyl-2-[1-(4-propan-2-yloxypyrimidin-2-yl)piperidin-4-yl]ethanamine
SMILESCNCCC1CCN(c2nccc(OC(C)C)n2)CC1
InChIInChI=1S/C15H26N4O/c1-12(2)20-14-5-9-17-15(18-14)19-10-6-13(7-11-19)4-8-16-3/h5,9,12-13,16H,4,6-8,10-11H2,1-3H3
InChIKeyQQTUBQCMKNIFTM-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.09
Rot. Bonds6

About N-methyl-2-[1-(4-propan-2-yloxypyrimidin-2-yl)piperidin-4-yl]ethanamine

N-methyl-2-[1-(4-propan-2-yloxypyrimidin-2-yl)piperidin-4-yl]ethanamine (PubChem CID 115975402) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N-methyl-2-[1-(4-propan-2-yloxypyrimidin-2-yl)piperidin-4-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[1-(4-propan-2-yloxypyrimidin-2-yl)piperidin-4-yl]ethanamine
PubChem CID115975402
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN-methyl-2-[1-(4-propan-2-yloxypyrimidin-2-yl)piperidin-4-yl]ethanamine
SMILESCNCCC1CCN(c2nccc(OC(C)C)n2)CC1
InChIInChI=1S/C15H26N4O/c1-12(2)20-14-5-9-17-15(18-14)19-10-6-13(7-11-19)4-8-16-3/h5,9,12-13,16H,4,6-8,10-11H2,1-3H3
InChIKeyQQTUBQCMKNIFTM-UHFFFAOYSA-N
XLogP2.09
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(1-bromoethyl)piperidin-1-yl]-4-propan-2-yloxypyrimidine
CID 106838630
2-[1-(4-propan-2-yloxypyrimidin-2-yl)pyrrolidin-3-yl]acetic acid
CID 112636156
1-(4-propan-2-yloxypyrimidin-2-yl)piperidin-3-amine
CID 112638532
4-methoxy-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 166900843
2-[4-(azetidin-3-yl)piperazin-1-yl]-4-propan-2-yloxypyrimidine
CID 115975429
N-methyl-2-[1-(4-propan-2-yloxyphenyl)pyrrolidin-3-yl]ethanamine
CID 112514852
N-[2-(4-methylcyclohexyl)ethyl]-4-propan-2-yloxypyrimidin-2-amine
CID 115975097
1-[1-(4-propan-2-yloxypyrimidin-2-yl)piperidin-3-yl]ethanamine
CID 112638675
2-[4-(methylaminomethyl)piperidin-1-yl]pyrimidine-4-carbonitrile
CID 107552490
2-methoxy-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]ethanamine
CID 62591605
4-ethyl-1-(4-propan-2-yloxypyrimidin-2-yl)piperidine-2-carboxylic acid
CID 114427636
2-[1-(5-iodopyrimidin-2-yl)piperidin-4-yl]-N-methylethanamine
CID 116648613

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-(4-propan-2-yloxypyrimidin-2-yl)piperidin-4-yl]ethanamine?
The IUPAC name of N-methyl-2-[1-(4-propan-2-yloxypyrimidin-2-yl)piperidin-4-yl]ethanamine (CID 115975402) is N-methyl-2-[1-(4-propan-2-yloxypyrimidin-2-yl)piperidin-4-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[1-(4-propan-2-yloxypyrimidin-2-yl)piperidin-4-yl]ethanamine?
The canonical SMILES for N-methyl-2-[1-(4-propan-2-yloxypyrimidin-2-yl)piperidin-4-yl]ethanamine is CNCCC1CCN(c2nccc(OC(C)C)n2)CC1.
What is the InChIKey of N-methyl-2-[1-(4-propan-2-yloxypyrimidin-2-yl)piperidin-4-yl]ethanamine?
The InChIKey is QQTUBQCMKNIFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-12(2)20-14-5-9-17-15(18-14)19-10-6-13(7-11-19)4-8-16-3/h5,9,12-13,16H,4,6-8,10-11H2,1-3H3.
What are the key properties of N-methyl-2-[1-(4-propan-2-yloxypyrimidin-2-yl)piperidin-4-yl]ethanamine?
N-methyl-2-[1-(4-propan-2-yloxypyrimidin-2-yl)piperidin-4-yl]ethanamine has a molecular weight of 278.40 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-(4-propan-2-yloxypyrimidin-2-yl)piperidin-4-yl]ethanamine is sourced from PubChem (CID 115975402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).