N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-propan-2-ylpiperidin-4-amine

C14H26N2O — CID 62065611

IUPACN-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-propan-2-ylpiperidin-4-amine
SMILESCC(C)N1CCC(NCC2CCC=CO2)CC1
InChIInChI=1S/C14H26N2O/c1-12(2)16-8-6-13(7-9-16)15-11-14-5-3-4-10-17-14/h4,10,12-15H,3,5-9,11H2,1-2H3
InChIKeyZRTWOPNPBSJQMO-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.14
Rot. Bonds4

About N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-propan-2-ylpiperidin-4-amine

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-propan-2-ylpiperidin-4-amine (PubChem CID 62065611) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-propan-2-ylpiperidin-4-amine
PubChem CID62065611
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-propan-2-ylpiperidin-4-amine
SMILESCC(C)N1CCC(NCC2CCC=CO2)CC1
InChIInChI=1S/C14H26N2O/c1-12(2)16-8-6-13(7-9-16)15-11-14-5-3-4-10-17-14/h4,10,12-15H,3,5-9,11H2,1-2H3
InChIKeyZRTWOPNPBSJQMO-UHFFFAOYSA-N
XLogP2.14
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-propan-2-ylpiperidin-4-amine?
The IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-propan-2-ylpiperidin-4-amine (CID 62065611) is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-propan-2-ylpiperidin-4-amine?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-propan-2-ylpiperidin-4-amine is CC(C)N1CCC(NCC2CCC=CO2)CC1.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-propan-2-ylpiperidin-4-amine?
The InChIKey is ZRTWOPNPBSJQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-12(2)16-8-6-13(7-9-16)15-11-14-5-3-4-10-17-14/h4,10,12-15H,3,5-9,11H2,1-2H3.
What are the key properties of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-propan-2-ylpiperidin-4-amine?
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-propan-2-ylpiperidin-4-amine has a molecular weight of 238.37 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 62065611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).