N-(oxan-2-ylmethyl)-N-(piperidin-3-ylmethyl)propan-1-amine

C15H30N2O — CID 113267802

IUPACN-(oxan-2-ylmethyl)-N-(piperidin-3-ylmethyl)propan-1-amine
SMILESCCCN(CC1CCCNC1)CC1CCCCO1
InChIInChI=1S/C15H30N2O/c1-2-9-17(12-14-6-5-8-16-11-14)13-15-7-3-4-10-18-15/h14-16H,2-13H2,1H3
InChIKeyQOJBKVKGDGHIJG-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.27
Rot. Bonds6

About N-(oxan-2-ylmethyl)-N-(piperidin-3-ylmethyl)propan-1-amine

N-(oxan-2-ylmethyl)-N-(piperidin-3-ylmethyl)propan-1-amine (PubChem CID 113267802) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-(oxan-2-ylmethyl)-N-(piperidin-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-(oxan-2-ylmethyl)-N-(piperidin-3-ylmethyl)propan-1-amine
PubChem CID113267802
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-(oxan-2-ylmethyl)-N-(piperidin-3-ylmethyl)propan-1-amine
SMILESCCCN(CC1CCCNC1)CC1CCCCO1
InChIInChI=1S/C15H30N2O/c1-2-9-17(12-14-6-5-8-16-11-14)13-15-7-3-4-10-18-15/h14-16H,2-13H2,1H3
InChIKeyQOJBKVKGDGHIJG-UHFFFAOYSA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(oxolan-2-yl)-N-(piperidin-3-ylmethyl)-N-propylacetamide
CID 106628324
N-(piperidin-3-ylmethyl)-N-propylpent-3-yn-1-amine
CID 106640928
4-[piperidin-3-ylmethyl(propyl)amino]butanenitrile
CID 106640658
3-[piperidin-3-ylmethyl(propyl)amino]propan-1-ol
CID 106640793
N-(2-methylsulfanylethyl)-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106640432
N-(piperidin-3-ylmethyl)-N,2-dipropyloxan-4-amine
CID 106625371
2-cyclopentyl-N-ethyl-N-(piperidin-3-ylmethyl)ethanamine
CID 114191629
N-methyl-N-(oxan-2-ylmethyl)propan-1-amine
CID 169307436
N-[(4-ethylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625448
N-benzyl-N-[[(3S)-piperidin-3-yl]methyl]propan-1-amine
CID 129381793
1-[2-[piperidin-3-ylmethyl(propyl)amino]ethyl]imidazolidin-2-one
CID 106640651
N-methyl-N-(oxepan-2-ylmethyl)propan-1-amine
CID 169307437

Frequently Asked Questions

What is the IUPAC name of N-(oxan-2-ylmethyl)-N-(piperidin-3-ylmethyl)propan-1-amine?
The IUPAC name of N-(oxan-2-ylmethyl)-N-(piperidin-3-ylmethyl)propan-1-amine (CID 113267802) is N-(oxan-2-ylmethyl)-N-(piperidin-3-ylmethyl)propan-1-amine.
What is the SMILES notation for N-(oxan-2-ylmethyl)-N-(piperidin-3-ylmethyl)propan-1-amine?
The canonical SMILES for N-(oxan-2-ylmethyl)-N-(piperidin-3-ylmethyl)propan-1-amine is CCCN(CC1CCCNC1)CC1CCCCO1.
What is the InChIKey of N-(oxan-2-ylmethyl)-N-(piperidin-3-ylmethyl)propan-1-amine?
The InChIKey is QOJBKVKGDGHIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-2-9-17(12-14-6-5-8-16-11-14)13-15-7-3-4-10-18-15/h14-16H,2-13H2,1H3.
What are the key properties of N-(oxan-2-ylmethyl)-N-(piperidin-3-ylmethyl)propan-1-amine?
N-(oxan-2-ylmethyl)-N-(piperidin-3-ylmethyl)propan-1-amine has a molecular weight of 254.42 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-2-ylmethyl)-N-(piperidin-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 113267802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).