3-[[3-(oxan-4-yl)pyrrolidin-1-yl]methyl]piperidine

C15H28N2O — CID 120849762

IUPAC3-[[3-(oxan-4-yl)pyrrolidin-1-yl]methyl]piperidine
SMILESC1CNCC(CN2CCC(C3CCOCC3)C2)C1
InChIInChI=1S/C15H28N2O/c1-2-13(10-16-6-1)11-17-7-3-15(12-17)14-4-8-18-9-5-14/h13-16H,1-12H2
InChIKeyQWDZNSLNNCJIFT-UHFFFAOYSA-N
MW252.40 g/mol
LogP1.73
Rot. Bonds3

About 3-[[3-(oxan-4-yl)pyrrolidin-1-yl]methyl]piperidine

3-[[3-(oxan-4-yl)pyrrolidin-1-yl]methyl]piperidine (PubChem CID 120849762) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 3-[[3-(oxan-4-yl)pyrrolidin-1-yl]methyl]piperidine.

Molecular Properties

Compound Name3-[[3-(oxan-4-yl)pyrrolidin-1-yl]methyl]piperidine
PubChem CID120849762
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name3-[[3-(oxan-4-yl)pyrrolidin-1-yl]methyl]piperidine
SMILESC1CNCC(CN2CCC(C3CCOCC3)C2)C1
InChIInChI=1S/C15H28N2O/c1-2-13(10-16-6-1)11-17-7-3-15(12-17)14-4-8-18-9-5-14/h13-16H,1-12H2
InChIKeyQWDZNSLNNCJIFT-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(oxan-4-yl)pyrrolidin-1-yl]methyl]piperidine;hydrochloride
CID 120855567
(3R)-1-(piperidin-3-ylmethyl)pyrrolidin-3-ol;hydrochloride
CID 130662876
3-methyl-1-(oxan-4-ylmethyl)-1,5-diazocane
CID 63712685
3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]piperidine
CID 63169624
2-(piperidin-3-ylmethyl)-7-oxa-2-azaspiro[3.5]nonane
CID 79677882
8-(piperidin-3-ylmethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;hydrochloride
CID 120848758
(3S)-3-methyl-1-[[(3S)-piperidin-3-yl]methyl]piperidine
CID 124802901
2-tert-butyl-4-(piperidin-3-ylmethyl)morpholine
CID 120858117
[1-(piperidin-3-ylmethyl)piperidin-4-yl]methanol
CID 80554337
3-methyl-1-(piperidin-3-ylmethyl)piperidin-4-ol;hydrochloride
CID 120848616
2-(piperidin-3-ylmethyl)-9-oxa-2-azaspiro[5.5]undecane;hydrochloride
CID 119931803
4-[(3-cyclopropylpyrrolidin-1-yl)methyl]piperidine;hydrochloride
CID 120849683

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(oxan-4-yl)pyrrolidin-1-yl]methyl]piperidine?
The IUPAC name of 3-[[3-(oxan-4-yl)pyrrolidin-1-yl]methyl]piperidine (CID 120849762) is 3-[[3-(oxan-4-yl)pyrrolidin-1-yl]methyl]piperidine.
What is the SMILES notation for 3-[[3-(oxan-4-yl)pyrrolidin-1-yl]methyl]piperidine?
The canonical SMILES for 3-[[3-(oxan-4-yl)pyrrolidin-1-yl]methyl]piperidine is C1CNCC(CN2CCC(C3CCOCC3)C2)C1.
What is the InChIKey of 3-[[3-(oxan-4-yl)pyrrolidin-1-yl]methyl]piperidine?
The InChIKey is QWDZNSLNNCJIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-2-13(10-16-6-1)11-17-7-3-15(12-17)14-4-8-18-9-5-14/h13-16H,1-12H2.
What are the key properties of 3-[[3-(oxan-4-yl)pyrrolidin-1-yl]methyl]piperidine?
3-[[3-(oxan-4-yl)pyrrolidin-1-yl]methyl]piperidine has a molecular weight of 252.40 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(oxan-4-yl)pyrrolidin-1-yl]methyl]piperidine is sourced from PubChem (CID 120849762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).