N-[1-(cyclopropylmethyl)piperidin-4-yl]-N-methylisoquinolin-6-amine

C19H25N3 — CID 59290714

IUPACN-[1-(cyclopropylmethyl)piperidin-4-yl]-N-methylisoquinolin-6-amine
SMILESCN(c1ccc2cnccc2c1)C1CCN(CC2CC2)CC1
InChIInChI=1S/C19H25N3/c1-21(18-7-10-22(11-8-18)14-15-2-3-15)19-5-4-17-13-20-9-6-16(17)12-19/h4-6,9,12-13,15,18H,2-3,7-8,10-11,14H2,1H3
InChIKeySWISXYXWBMLIDT-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.55
Rot. Bonds4

About N-[1-(cyclopropylmethyl)piperidin-4-yl]-N-methylisoquinolin-6-amine

N-[1-(cyclopropylmethyl)piperidin-4-yl]-N-methylisoquinolin-6-amine (PubChem CID 59290714) has the molecular formula C19H25N3 and a molecular weight of 295.43 g/mol. Its IUPAC name is N-[1-(cyclopropylmethyl)piperidin-4-yl]-N-methylisoquinolin-6-amine.

Molecular Properties

Compound NameN-[1-(cyclopropylmethyl)piperidin-4-yl]-N-methylisoquinolin-6-amine
PubChem CID59290714
Molecular FormulaC19H25N3
Molecular Weight295.43 g/mol
Exact Mass295.20
IUPAC NameN-[1-(cyclopropylmethyl)piperidin-4-yl]-N-methylisoquinolin-6-amine
SMILESCN(c1ccc2cnccc2c1)C1CCN(CC2CC2)CC1
InChIInChI=1S/C19H25N3/c1-21(18-7-10-22(11-8-18)14-15-2-3-15)19-5-4-17-13-20-9-6-16(17)12-19/h4-6,9,12-13,15,18H,2-3,7-8,10-11,14H2,1H3
InChIKeySWISXYXWBMLIDT-UHFFFAOYSA-N
XLogP3.55
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropylmethyl)piperidin-4-yl]-N-methylisoquinolin-6-amine?
The IUPAC name of N-[1-(cyclopropylmethyl)piperidin-4-yl]-N-methylisoquinolin-6-amine (CID 59290714) is N-[1-(cyclopropylmethyl)piperidin-4-yl]-N-methylisoquinolin-6-amine.
What is the SMILES notation for N-[1-(cyclopropylmethyl)piperidin-4-yl]-N-methylisoquinolin-6-amine?
The canonical SMILES for N-[1-(cyclopropylmethyl)piperidin-4-yl]-N-methylisoquinolin-6-amine is CN(c1ccc2cnccc2c1)C1CCN(CC2CC2)CC1.
What is the InChIKey of N-[1-(cyclopropylmethyl)piperidin-4-yl]-N-methylisoquinolin-6-amine?
The InChIKey is SWISXYXWBMLIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3/c1-21(18-7-10-22(11-8-18)14-15-2-3-15)19-5-4-17-13-20-9-6-16(17)12-19/h4-6,9,12-13,15,18H,2-3,7-8,10-11,14H2,1H3.
What are the key properties of N-[1-(cyclopropylmethyl)piperidin-4-yl]-N-methylisoquinolin-6-amine?
N-[1-(cyclopropylmethyl)piperidin-4-yl]-N-methylisoquinolin-6-amine has a molecular weight of 295.43 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropylmethyl)piperidin-4-yl]-N-methylisoquinolin-6-amine is sourced from PubChem (CID 59290714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).