3-[(4-methylpiperidin-1-yl)methyl]-6-propan-2-yl-3,4-dihydro-2H-chromen-4-amine

C19H30N2O — CID 82188114

IUPAC3-[(4-methylpiperidin-1-yl)methyl]-6-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
SMILESCC1CCN(CC2COc3ccc(C(C)C)cc3C2N)CC1
InChIInChI=1S/C19H30N2O/c1-13(2)15-4-5-18-17(10-15)19(20)16(12-22-18)11-21-8-6-14(3)7-9-21/h4-5,10,13-14,16,19H,6-9,11-12,20H2,1-3H3
InChIKeyQPYYKASSMJLJNA-UHFFFAOYSA-N
MW302.46 g/mol
LogP3.55
Rot. Bonds3

About 3-[(4-methylpiperidin-1-yl)methyl]-6-propan-2-yl-3,4-dihydro-2H-chromen-4-amine

3-[(4-methylpiperidin-1-yl)methyl]-6-propan-2-yl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 82188114) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is 3-[(4-methylpiperidin-1-yl)methyl]-6-propan-2-yl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name3-[(4-methylpiperidin-1-yl)methyl]-6-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
PubChem CID82188114
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name3-[(4-methylpiperidin-1-yl)methyl]-6-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
SMILESCC1CCN(CC2COc3ccc(C(C)C)cc3C2N)CC1
InChIInChI=1S/C19H30N2O/c1-13(2)15-4-5-18-17(10-15)19(20)16(12-22-18)11-21-8-6-14(3)7-9-21/h4-5,10,13-14,16,19H,6-9,11-12,20H2,1-3H3
InChIKeyQPYYKASSMJLJNA-UHFFFAOYSA-N
XLogP3.55
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-ethyl-3-[(4-ethylpiperazin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 82188101
6-methoxy-3-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 82188264
8-propan-2-yl-3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 82188074
3-(azepan-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 82188018
(4R,5S)-4-amino-7-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
CID 94985824
N-ethyl-5-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine
CID 43512441
1-(7-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)ethanamine
CID 82243150
6-[(4-methylpiperidin-1-yl)methyl]cyclohex-3-en-1-amine
CID 86198223
8-chloro-3-[(3-methylpiperidin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 82188183
2-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
CID 134391362
1-(1,3-benzodioxol-5-yl)-2-(4-methylpiperidin-1-yl)ethanol
CID 54944825
5,7-dimethyl-3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 82188162

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylpiperidin-1-yl)methyl]-6-propan-2-yl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 3-[(4-methylpiperidin-1-yl)methyl]-6-propan-2-yl-3,4-dihydro-2H-chromen-4-amine (CID 82188114) is 3-[(4-methylpiperidin-1-yl)methyl]-6-propan-2-yl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 3-[(4-methylpiperidin-1-yl)methyl]-6-propan-2-yl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 3-[(4-methylpiperidin-1-yl)methyl]-6-propan-2-yl-3,4-dihydro-2H-chromen-4-amine is CC1CCN(CC2COc3ccc(C(C)C)cc3C2N)CC1.
What is the InChIKey of 3-[(4-methylpiperidin-1-yl)methyl]-6-propan-2-yl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is QPYYKASSMJLJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-13(2)15-4-5-18-17(10-15)19(20)16(12-22-18)11-21-8-6-14(3)7-9-21/h4-5,10,13-14,16,19H,6-9,11-12,20H2,1-3H3.
What are the key properties of 3-[(4-methylpiperidin-1-yl)methyl]-6-propan-2-yl-3,4-dihydro-2H-chromen-4-amine?
3-[(4-methylpiperidin-1-yl)methyl]-6-propan-2-yl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 302.46 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylpiperidin-1-yl)methyl]-6-propan-2-yl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 82188114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).