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

C18H28N2O — CID 79698911

IUPACN-(piperidin-4-ylmethyl)-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
SMILESCC(C)N(CC1CCNCC1)C1CCOc2ccccc21
InChIInChI=1S/C18H28N2O/c1-14(2)20(13-15-7-10-19-11-8-15)17-9-12-21-18-6-4-3-5-16(17)18/h3-6,14-15,17,19H,7-13H2,1-2H3
InChIKeyJDRTZWQDZPICPW-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.22
Rot. Bonds4

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

N-(piperidin-4-ylmethyl)-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 79698911) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is N-(piperidin-4-ylmethyl)-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-(piperidin-4-ylmethyl)-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
PubChem CID79698911
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC NameN-(piperidin-4-ylmethyl)-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
SMILESCC(C)N(CC1CCNCC1)C1CCOc2ccccc21
InChIInChI=1S/C18H28N2O/c1-14(2)20(13-15-7-10-19-11-8-15)17-9-12-21-18-6-4-3-5-16(17)18/h3-6,14-15,17,19H,7-13H2,1-2H3
InChIKeyJDRTZWQDZPICPW-UHFFFAOYSA-N
XLogP3.22
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclohexylmethyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 134794851
N-ethyl-N-(piperidin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 106624688
1-(3,4-dihydro-2H-chromen-4-yl)-3-piperidin-4-ylpropan-2-one
CID 116559906
N-methyl-N-(piperidin-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 106623158
N,2,2-trimethyl-N-(piperidin-4-ylmethyl)-3,4-dihydrochromen-4-amine
CID 81140076
2-(3,4-dihydro-2H-chromen-4-yl)propan-1-ol
CID 130128093
2-[3,4-dihydro-2H-chromen-4-yl(methyl)amino]-1-piperazin-1-ylethanone
CID 61017517
1-(3,4-dihydro-2H-chromen-4-yl)-2-methylbutan-1-ol
CID 79446143
(4S)-4-[(1R)-1-nitroethyl]-3,4-dihydro-2H-chromene
CID 57342248
1-(3,4-dihydro-2H-chromen-4-yl)-2-methylpentan-1-amine
CID 107893468
N-(piperidin-4-ylmethyl)-N-propan-2-ylcyclobutanamine;hydrochloride
CID 119932017
2-[3,4-dihydro-2H-chromen-4-yl(2-methylpropyl)amino]acetic acid
CID 65064001

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-4-ylmethyl)-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-(piperidin-4-ylmethyl)-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine (CID 79698911) is N-(piperidin-4-ylmethyl)-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-(piperidin-4-ylmethyl)-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-(piperidin-4-ylmethyl)-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine is CC(C)N(CC1CCNCC1)C1CCOc2ccccc21.
What is the InChIKey of N-(piperidin-4-ylmethyl)-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is JDRTZWQDZPICPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-14(2)20(13-15-7-10-19-11-8-15)17-9-12-21-18-6-4-3-5-16(17)18/h3-6,14-15,17,19H,7-13H2,1-2H3.
What are the key properties of N-(piperidin-4-ylmethyl)-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine?
N-(piperidin-4-ylmethyl)-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 288.43 g/mol, XLogP of 3.22, 4 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-propan-2-yl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 79698911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).