N-ethyl-N-(piperidin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine

C17H26N2O — CID 106624688

IUPACN-ethyl-N-(piperidin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCCN(CC1CCCNC1)C1CCOc2ccccc21
InChIInChI=1S/C17H26N2O/c1-2-19(13-14-6-5-10-18-12-14)16-9-11-20-17-8-4-3-7-15(16)17/h3-4,7-8,14,16,18H,2,5-6,9-13H2,1H3
InChIKeyOHJZJZLMXAWGSD-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.83
Rot. Bonds4

About N-ethyl-N-(piperidin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine

N-ethyl-N-(piperidin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 106624688) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-ethyl-N-(piperidin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-ethyl-N-(piperidin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID106624688
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-ethyl-N-(piperidin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCCN(CC1CCCNC1)C1CCOc2ccccc21
InChIInChI=1S/C17H26N2O/c1-2-19(13-14-6-5-10-18-12-14)16-9-11-20-17-8-4-3-7-15(16)17/h3-4,7-8,14,16,18H,2,5-6,9-13H2,1H3
InChIKeyOHJZJZLMXAWGSD-UHFFFAOYSA-N
XLogP2.83
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-methyl-N-(piperidin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 106624364
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-(piperidin-3-ylmethyl)ethanamine
CID 106638708
N-(cyclohexylmethyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 134794851
5-bromo-N-ethyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 106624406
N-(piperidin-3-ylmethyl)-N-propyl-3,4-dihydro-2H-thiochromen-4-amine
CID 106625395
N-methyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 106627941
N-(piperidin-4-ylmethyl)-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 79698911
N-ethyl-N-(piperidin-3-ylmethyl)aniline;hydrochloride
CID 119929267
N-methyl-N-(piperidin-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 106623158
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N-methyl-1-piperidin-3-ylmethanamine
CID 103815781
N-methyl-N-(piperidin-3-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 106623860
N-benzyl-N-[[(3R)-piperidin-3-yl]methyl]cyclopropanamine
CID 96555707

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(piperidin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-ethyl-N-(piperidin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine (CID 106624688) is N-ethyl-N-(piperidin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-ethyl-N-(piperidin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-ethyl-N-(piperidin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine is CCN(CC1CCCNC1)C1CCOc2ccccc21.
What is the InChIKey of N-ethyl-N-(piperidin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is OHJZJZLMXAWGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-2-19(13-14-6-5-10-18-12-14)16-9-11-20-17-8-4-3-7-15(16)17/h3-4,7-8,14,16,18H,2,5-6,9-13H2,1H3.
What are the key properties of N-ethyl-N-(piperidin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
N-ethyl-N-(piperidin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 274.41 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(piperidin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 106624688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).