N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-piperidin-1-ylpropan-1-amine

C14H26N2O — CID 55030740

IUPACN-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-piperidin-1-ylpropan-1-amine
SMILESCC(CNCC1CCC=CO1)N1CCCCC1
InChIInChI=1S/C14H26N2O/c1-13(16-8-4-2-5-9-16)11-15-12-14-7-3-6-10-17-14/h6,10,13-15H,2-5,7-9,11-12H2,1H3
InChIKeyRBHIMLRLMDZCOA-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.14
Rot. Bonds5

About N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-piperidin-1-ylpropan-1-amine

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-piperidin-1-ylpropan-1-amine (PubChem CID 55030740) 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)-2-piperidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-piperidin-1-ylpropan-1-amine
PubChem CID55030740
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-piperidin-1-ylpropan-1-amine
SMILESCC(CNCC1CCC=CO1)N1CCCCC1
InChIInChI=1S/C14H26N2O/c1-13(16-8-4-2-5-9-16)11-15-12-14-7-3-6-10-17-14/h6,10,13-15H,2-5,7-9,11-12H2,1H3
InChIKeyRBHIMLRLMDZCOA-UHFFFAOYSA-N
XLogP2.14
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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)-2-piperidin-1-ylpropan-1-amine?
The IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-piperidin-1-ylpropan-1-amine (CID 55030740) is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-piperidin-1-ylpropan-1-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-piperidin-1-ylpropan-1-amine?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-piperidin-1-ylpropan-1-amine is CC(CNCC1CCC=CO1)N1CCCCC1.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-piperidin-1-ylpropan-1-amine?
The InChIKey is RBHIMLRLMDZCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-13(16-8-4-2-5-9-16)11-15-12-14-7-3-6-10-17-14/h6,10,13-15H,2-5,7-9,11-12H2,1H3.
What are the key properties of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-piperidin-1-ylpropan-1-amine?
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-piperidin-1-ylpropan-1-amine has a molecular weight of 238.37 g/mol, XLogP of 2.14, 5 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)-2-piperidin-1-ylpropan-1-amine is sourced from PubChem (CID 55030740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).