N-(piperidin-4-ylmethyl)-N-propyl-3,4-dihydro-2H-thiochromen-4-amine

C18H28N2S — CID 79696968

IUPACN-(piperidin-4-ylmethyl)-N-propyl-3,4-dihydro-2H-thiochromen-4-amine
SMILESCCCN(CC1CCNCC1)C1CCSc2ccccc21
InChIInChI=1S/C18H28N2S/c1-2-12-20(14-15-7-10-19-11-8-15)17-9-13-21-18-6-4-3-5-16(17)18/h3-6,15,17,19H,2,7-14H2,1H3
InChIKeyWQHOSYGWPVNHPV-UHFFFAOYSA-N
MW304.50 g/mol
LogP3.94
Rot. Bonds5

About N-(piperidin-4-ylmethyl)-N-propyl-3,4-dihydro-2H-thiochromen-4-amine

N-(piperidin-4-ylmethyl)-N-propyl-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 79696968) has the molecular formula C18H28N2S and a molecular weight of 304.50 g/mol. Its IUPAC name is N-(piperidin-4-ylmethyl)-N-propyl-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound NameN-(piperidin-4-ylmethyl)-N-propyl-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID79696968
Molecular FormulaC18H28N2S
Molecular Weight304.50 g/mol
Exact Mass304.20
IUPAC NameN-(piperidin-4-ylmethyl)-N-propyl-3,4-dihydro-2H-thiochromen-4-amine
SMILESCCCN(CC1CCNCC1)C1CCSc2ccccc21
InChIInChI=1S/C18H28N2S/c1-2-12-20(14-15-7-10-19-11-8-15)17-9-13-21-18-6-4-3-5-16(17)18/h3-6,15,17,19H,2,7-14H2,1H3
InChIKeyWQHOSYGWPVNHPV-UHFFFAOYSA-N
XLogP3.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.50
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(piperidin-3-ylmethyl)-N-propyl-3,4-dihydro-2H-thiochromen-4-amine
CID 106625395
N-methyl-N-(piperidin-3-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 106623860
N-ethyl-N-(piperidin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 106622668
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-(piperidin-4-ylmethyl)ethanamine
CID 79716245
3-[2,3-dihydro-1H-inden-1-yl(piperidin-4-ylmethyl)amino]propan-1-ol
CID 119931689
2-[2,3-dihydro-1H-inden-1-yl(piperidin-4-ylmethyl)amino]ethanol;hydrochloride
CID 119931686
3-[3,4-dihydro-2H-thiochromen-4-yl(ethyl)amino]propanoic acid
CID 65062660
6-bromo-N-methyl-N-(piperidin-4-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 119931431
N,N-dipropyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103983115
N-(piperidin-4-ylmethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 119930879
N-(3,4-dihydro-2H-thiochromen-4-yl)-N-methylpiperidin-3-amine
CID 55249309
N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 106603161

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-4-ylmethyl)-N-propyl-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of N-(piperidin-4-ylmethyl)-N-propyl-3,4-dihydro-2H-thiochromen-4-amine (CID 79696968) is N-(piperidin-4-ylmethyl)-N-propyl-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for N-(piperidin-4-ylmethyl)-N-propyl-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for N-(piperidin-4-ylmethyl)-N-propyl-3,4-dihydro-2H-thiochromen-4-amine is CCCN(CC1CCNCC1)C1CCSc2ccccc21.
What is the InChIKey of N-(piperidin-4-ylmethyl)-N-propyl-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is WQHOSYGWPVNHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2S/c1-2-12-20(14-15-7-10-19-11-8-15)17-9-13-21-18-6-4-3-5-16(17)18/h3-6,15,17,19H,2,7-14H2,1H3.
What are the key properties of N-(piperidin-4-ylmethyl)-N-propyl-3,4-dihydro-2H-thiochromen-4-amine?
N-(piperidin-4-ylmethyl)-N-propyl-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 304.50 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-4-ylmethyl)-N-propyl-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 79696968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).