N-(piperidin-2-ylmethyl)-N-propyl-3,4-dihydro-1H-isochromen-4-amine

C18H28N2O — CID 107150035

IUPACN-(piperidin-2-ylmethyl)-N-propyl-3,4-dihydro-1H-isochromen-4-amine
SMILESCCCN(CC1CCCCN1)C1COCc2ccccc21
InChIInChI=1S/C18H28N2O/c1-2-11-20(12-16-8-5-6-10-19-16)18-14-21-13-15-7-3-4-9-17(15)18/h3-4,7,9,16,18-19H,2,5-6,8,10-14H2,1H3
InChIKeyPPNHMWUNSYXJTR-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.11
Rot. Bonds5

About N-(piperidin-2-ylmethyl)-N-propyl-3,4-dihydro-1H-isochromen-4-amine

N-(piperidin-2-ylmethyl)-N-propyl-3,4-dihydro-1H-isochromen-4-amine (PubChem CID 107150035) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is N-(piperidin-2-ylmethyl)-N-propyl-3,4-dihydro-1H-isochromen-4-amine.

Molecular Properties

Compound NameN-(piperidin-2-ylmethyl)-N-propyl-3,4-dihydro-1H-isochromen-4-amine
PubChem CID107150035
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC NameN-(piperidin-2-ylmethyl)-N-propyl-3,4-dihydro-1H-isochromen-4-amine
SMILESCCCN(CC1CCCCN1)C1COCc2ccccc21
InChIInChI=1S/C18H28N2O/c1-2-11-20(12-16-8-5-6-10-19-16)18-14-21-13-15-7-3-4-9-17(15)18/h3-4,7,9,16,18-19H,2,5-6,8,10-14H2,1H3
InChIKeyPPNHMWUNSYXJTR-UHFFFAOYSA-N
XLogP3.11
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2,3-dihydro-1H-inden-1-yl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606505
4-fluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 106604082
N-methyl-N-(piperidin-4-ylmethyl)-3,4-dihydro-1H-isochromen-4-amine
CID 107149986
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106636121
N-ethyl-4-methyl-N-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 106603480
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-2-ylmethyl)propan-1-amine
CID 106635930
N-propyl-N-(pyrrolidin-2-ylmethyl)cyclohexanamine
CID 106603994
6-methoxy-N-propyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 106604140
N-propyl-N-(pyrrolidin-2-ylmethyl)oxan-4-amine
CID 106604067
N-methyl-N-(piperidin-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 106623158
N-propyl-N-(pyrrolidin-2-ylmethyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 106610262

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-2-ylmethyl)-N-propyl-3,4-dihydro-1H-isochromen-4-amine?
The IUPAC name of N-(piperidin-2-ylmethyl)-N-propyl-3,4-dihydro-1H-isochromen-4-amine (CID 107150035) is N-(piperidin-2-ylmethyl)-N-propyl-3,4-dihydro-1H-isochromen-4-amine.
What is the SMILES notation for N-(piperidin-2-ylmethyl)-N-propyl-3,4-dihydro-1H-isochromen-4-amine?
The canonical SMILES for N-(piperidin-2-ylmethyl)-N-propyl-3,4-dihydro-1H-isochromen-4-amine is CCCN(CC1CCCCN1)C1COCc2ccccc21.
What is the InChIKey of N-(piperidin-2-ylmethyl)-N-propyl-3,4-dihydro-1H-isochromen-4-amine?
The InChIKey is PPNHMWUNSYXJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-2-11-20(12-16-8-5-6-10-19-16)18-14-21-13-15-7-3-4-9-17(15)18/h3-4,7,9,16,18-19H,2,5-6,8,10-14H2,1H3.
What are the key properties of N-(piperidin-2-ylmethyl)-N-propyl-3,4-dihydro-1H-isochromen-4-amine?
N-(piperidin-2-ylmethyl)-N-propyl-3,4-dihydro-1H-isochromen-4-amine has a molecular weight of 288.43 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-2-ylmethyl)-N-propyl-3,4-dihydro-1H-isochromen-4-amine is sourced from PubChem (CID 107150035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).