1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-piperidin-1-yl-N-propylpropan-1-amine

C17H32N2O — CID 102647694

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-piperidin-1-yl-N-propylpropan-1-amine
SMILESCCCNC(C1=CCCCO1)C(C)(C)N1CCCCC1
InChIInChI=1S/C17H32N2O/c1-4-11-18-16(15-10-6-9-14-20-15)17(2,3)19-12-7-5-8-13-19/h10,16,18H,4-9,11-14H2,1-3H3
InChIKeyCQZNECSDTPHHKJ-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.31
Rot. Bonds6

About 1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-piperidin-1-yl-N-propylpropan-1-amine

1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-piperidin-1-yl-N-propylpropan-1-amine (PubChem CID 102647694) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-piperidin-1-yl-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-piperidin-1-yl-N-propylpropan-1-amine
PubChem CID102647694
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-piperidin-1-yl-N-propylpropan-1-amine
SMILESCCCNC(C1=CCCCO1)C(C)(C)N1CCCCC1
InChIInChI=1S/C17H32N2O/c1-4-11-18-16(15-10-6-9-14-20-15)17(2,3)19-12-7-5-8-13-19/h10,16,18H,4-9,11-14H2,1-3H3
InChIKeyCQZNECSDTPHHKJ-UHFFFAOYSA-N
XLogP3.31
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-piperidin-1-ylpropyl]hydrazine
CID 102650042
N-[1-(3,4-dihydro-2H-pyran-6-yl)-2,2,2-trifluoroethyl]propan-1-amine
CID 102649135
1-(cyclohepten-1-yl)-2-methyl-2-piperidin-1-yl-N-propylpropan-1-amine
CID 106653570
1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-2-methyl-N-propylpropan-1-amine
CID 102648094
1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine
CID 102647687
[1-(2,3-dihydrofuran-5-yl)-2-methyl-2-pyrrolidin-1-ylpropyl]hydrazine
CID 102654218
1-(3,4-dihydro-2H-pyran-6-yl)-2-ethyl-N-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 102647727
1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 102647225
2-(azepan-1-yl)-2-methyl-1-phenyl-N-propylpropan-1-amine
CID 79051839
1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-N-propylbutan-1-amine
CID 102647447
2-(azepan-1-yl)-2-methyl-N-propyl-1-thiophen-2-ylpropan-1-amine
CID 79052153
N-[3,4-dihydro-2H-pyran-6-yl-(1-pyrrolidin-1-ylcyclopentyl)methyl]propan-1-amine
CID 102647740

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-piperidin-1-yl-N-propylpropan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-piperidin-1-yl-N-propylpropan-1-amine (CID 102647694) is 1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-piperidin-1-yl-N-propylpropan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-piperidin-1-yl-N-propylpropan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-piperidin-1-yl-N-propylpropan-1-amine is CCCNC(C1=CCCCO1)C(C)(C)N1CCCCC1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-piperidin-1-yl-N-propylpropan-1-amine?
The InChIKey is CQZNECSDTPHHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-4-11-18-16(15-10-6-9-14-20-15)17(2,3)19-12-7-5-8-13-19/h10,16,18H,4-9,11-14H2,1-3H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-piperidin-1-yl-N-propylpropan-1-amine?
1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-piperidin-1-yl-N-propylpropan-1-amine has a molecular weight of 280.46 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-piperidin-1-yl-N-propylpropan-1-amine is sourced from PubChem (CID 102647694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).