N,2,2-trimethyl-N-(piperidin-4-ylmethyl)-3,4-dihydrochromen-4-amine

C18H28N2O — CID 81140076

IUPACN,2,2-trimethyl-N-(piperidin-4-ylmethyl)-3,4-dihydrochromen-4-amine
SMILESCN(CC1CCNCC1)C1CC(C)(C)Oc2ccccc21
InChIInChI=1S/C18H28N2O/c1-18(2)12-16(15-6-4-5-7-17(15)21-18)20(3)13-14-8-10-19-11-9-14/h4-7,14,16,19H,8-13H2,1-3H3
InChIKeyXZQIERRZIMTBAB-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.22
Rot. Bonds3

About N,2,2-trimethyl-N-(piperidin-4-ylmethyl)-3,4-dihydrochromen-4-amine

N,2,2-trimethyl-N-(piperidin-4-ylmethyl)-3,4-dihydrochromen-4-amine (PubChem CID 81140076) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is N,2,2-trimethyl-N-(piperidin-4-ylmethyl)-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound NameN,2,2-trimethyl-N-(piperidin-4-ylmethyl)-3,4-dihydrochromen-4-amine
PubChem CID81140076
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC NameN,2,2-trimethyl-N-(piperidin-4-ylmethyl)-3,4-dihydrochromen-4-amine
SMILESCN(CC1CCNCC1)C1CC(C)(C)Oc2ccccc21
InChIInChI=1S/C18H28N2O/c1-18(2)12-16(15-6-4-5-7-17(15)21-18)20(3)13-14-8-10-19-11-9-14/h4-7,14,16,19H,8-13H2,1-3H3
InChIKeyXZQIERRZIMTBAB-UHFFFAOYSA-N
XLogP3.22
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-N-(piperidin-4-ylmethyl)-3,4-dihydrochromen-4-amine?
The IUPAC name of N,2,2-trimethyl-N-(piperidin-4-ylmethyl)-3,4-dihydrochromen-4-amine (CID 81140076) is N,2,2-trimethyl-N-(piperidin-4-ylmethyl)-3,4-dihydrochromen-4-amine.
What is the SMILES notation for N,2,2-trimethyl-N-(piperidin-4-ylmethyl)-3,4-dihydrochromen-4-amine?
The canonical SMILES for N,2,2-trimethyl-N-(piperidin-4-ylmethyl)-3,4-dihydrochromen-4-amine is CN(CC1CCNCC1)C1CC(C)(C)Oc2ccccc21.
What is the InChIKey of N,2,2-trimethyl-N-(piperidin-4-ylmethyl)-3,4-dihydrochromen-4-amine?
The InChIKey is XZQIERRZIMTBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-18(2)12-16(15-6-4-5-7-17(15)21-18)20(3)13-14-8-10-19-11-9-14/h4-7,14,16,19H,8-13H2,1-3H3.
What are the key properties of N,2,2-trimethyl-N-(piperidin-4-ylmethyl)-3,4-dihydrochromen-4-amine?
N,2,2-trimethyl-N-(piperidin-4-ylmethyl)-3,4-dihydrochromen-4-amine has a molecular weight of 288.43 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-N-(piperidin-4-ylmethyl)-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 81140076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).