N-[[1-(6-propoxypyrimidin-4-yl)piperidin-3-yl]methyl]ethanamine

C15H26N4O — CID 66331580

IUPACN-[[1-(6-propoxypyrimidin-4-yl)piperidin-3-yl]methyl]ethanamine
SMILESCCCOc1cc(N2CCCC(CNCC)C2)ncn1
InChIInChI=1S/C15H26N4O/c1-3-8-20-15-9-14(17-12-18-15)19-7-5-6-13(11-19)10-16-4-2/h9,12-13,16H,3-8,10-11H2,1-2H3
InChIKeyCCNRKPSYZCKMEW-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.09
Rot. Bonds7

About N-[[1-(6-propoxypyrimidin-4-yl)piperidin-3-yl]methyl]ethanamine

N-[[1-(6-propoxypyrimidin-4-yl)piperidin-3-yl]methyl]ethanamine (PubChem CID 66331580) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[[1-(6-propoxypyrimidin-4-yl)piperidin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(6-propoxypyrimidin-4-yl)piperidin-3-yl]methyl]ethanamine
PubChem CID66331580
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN-[[1-(6-propoxypyrimidin-4-yl)piperidin-3-yl]methyl]ethanamine
SMILESCCCOc1cc(N2CCCC(CNCC)C2)ncn1
InChIInChI=1S/C15H26N4O/c1-3-8-20-15-9-14(17-12-18-15)19-7-5-6-13(11-19)10-16-4-2/h9,12-13,16H,3-8,10-11H2,1-2H3
InChIKeyCCNRKPSYZCKMEW-UHFFFAOYSA-N
XLogP2.09
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
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-[1-(6-propoxypyrimidin-4-yl)piperidin-3-yl]acetic acid
CID 66331557
2-[1-(6-propoxypyrimidin-4-yl)piperidin-3-yl]ethanamine
CID 66331369
1-(6-propoxypyrimidin-4-yl)piperidin-3-amine
CID 66333796
N-[[1-(6-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methyl]ethanamine
CID 62592540
2-methoxy-N-[[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methyl]ethanamine
CID 66320112
4-[3-(chloromethyl)pyrrolidin-1-yl]-6-propoxypyrimidine
CID 66334023
[1-(6-propoxypyrimidin-4-yl)pyrrolidin-3-yl]methanamine
CID 66334205
2-[[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methylamino]acetic acid
CID 106814254
N-methyl-1-[1-(6-propoxypyrimidin-4-yl)piperidin-4-yl]methanamine
CID 66332385
N-[[1-(4-methyl-2-pyridinyl)piperidin-3-yl]methyl]ethanamine
CID 62592708
4-[3-(ethylaminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136989738
N-[[(3R)-1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]methyl]benzamide
CID 99614878

Frequently Asked Questions

What is the IUPAC name of N-[[1-(6-propoxypyrimidin-4-yl)piperidin-3-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(6-propoxypyrimidin-4-yl)piperidin-3-yl]methyl]ethanamine (CID 66331580) is N-[[1-(6-propoxypyrimidin-4-yl)piperidin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(6-propoxypyrimidin-4-yl)piperidin-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(6-propoxypyrimidin-4-yl)piperidin-3-yl]methyl]ethanamine is CCCOc1cc(N2CCCC(CNCC)C2)ncn1.
What is the InChIKey of N-[[1-(6-propoxypyrimidin-4-yl)piperidin-3-yl]methyl]ethanamine?
The InChIKey is CCNRKPSYZCKMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-3-8-20-15-9-14(17-12-18-15)19-7-5-6-13(11-19)10-16-4-2/h9,12-13,16H,3-8,10-11H2,1-2H3.
What are the key properties of N-[[1-(6-propoxypyrimidin-4-yl)piperidin-3-yl]methyl]ethanamine?
N-[[1-(6-propoxypyrimidin-4-yl)piperidin-3-yl]methyl]ethanamine has a molecular weight of 278.40 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6-propoxypyrimidin-4-yl)piperidin-3-yl]methyl]ethanamine is sourced from PubChem (CID 66331580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).