N-(piperidin-3-ylmethyl)oxan-3-amine

C11H22N2O — CID 80555107

IUPACN-(piperidin-3-ylmethyl)oxan-3-amine
SMILESC1CNCC(CNC2CCCOC2)C1
InChIInChI=1S/C11H22N2O/c1-3-10(7-12-5-1)8-13-11-4-2-6-14-9-11/h10-13H,1-9H2
InChIKeyYPKARCVLFDEOKH-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.75
Rot. Bonds3

About N-(piperidin-3-ylmethyl)oxan-3-amine

N-(piperidin-3-ylmethyl)oxan-3-amine (PubChem CID 80555107) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N-(piperidin-3-ylmethyl)oxan-3-amine.

Molecular Properties

Compound NameN-(piperidin-3-ylmethyl)oxan-3-amine
PubChem CID80555107
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN-(piperidin-3-ylmethyl)oxan-3-amine
SMILESC1CNCC(CNC2CCCOC2)C1
InChIInChI=1S/C11H22N2O/c1-3-10(7-12-5-1)8-13-11-4-2-6-14-9-11/h10-13H,1-9H2
InChIKeyYPKARCVLFDEOKH-UHFFFAOYSA-N
XLogP0.75
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(cyclopentylmethyl)oxan-3-amine
CID 95305960
N-(piperidin-3-ylmethyl)cyclododecanamine
CID 83958102
N-(oxan-3-yl)-2-piperidin-3-ylacetamide
CID 63361348
(3S)-N-(oxolan-3-ylmethyl)oxan-3-amine
CID 130735391
N-(oxan-3-yl)-1-piperidin-3-ylmethanesulfonamide
CID 55190208
3-methyl-N-[[(3R)-piperidin-3-yl]methyl]cyclobutan-1-amine
CID 130522929
N-(pyrrolidin-3-ylmethyl)cyclohexanamine
CID 63006333
N-(1,4-dioxan-2-ylmethyl)-1-piperidin-3-ylmethanamine
CID 80555087
N-(cyclohex-3-en-1-ylmethyl)oxan-3-amine
CID 63360374
N-(oxolan-3-yl)-2-piperidin-3-ylacetamide
CID 80713340
N-(piperidin-3-ylmethyl)pyrrolidin-2-amine
CID 105440865
3-(oxolan-3-ylmethyl)piperidine
CID 63563820

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-3-ylmethyl)oxan-3-amine?
The IUPAC name of N-(piperidin-3-ylmethyl)oxan-3-amine (CID 80555107) is N-(piperidin-3-ylmethyl)oxan-3-amine.
What is the SMILES notation for N-(piperidin-3-ylmethyl)oxan-3-amine?
The canonical SMILES for N-(piperidin-3-ylmethyl)oxan-3-amine is C1CNCC(CNC2CCCOC2)C1.
What is the InChIKey of N-(piperidin-3-ylmethyl)oxan-3-amine?
The InChIKey is YPKARCVLFDEOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-3-10(7-12-5-1)8-13-11-4-2-6-14-9-11/h10-13H,1-9H2.
What are the key properties of N-(piperidin-3-ylmethyl)oxan-3-amine?
N-(piperidin-3-ylmethyl)oxan-3-amine has a molecular weight of 198.31 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-3-ylmethyl)oxan-3-amine is sourced from PubChem (CID 80555107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).