3-[[2-(oxan-4-yl)pyrrolidin-1-yl]methyl]piperidine;hydrochloride

C15H29ClN2O — CID 120855567

IUPAC3-[[2-(oxan-4-yl)pyrrolidin-1-yl]methyl]piperidine;hydrochloride
SMILESC1CNCC(CN2CCCC2C2CCOCC2)C1.Cl
InChIInChI=1S/C15H28N2O.ClH/c1-3-13(11-16-7-1)12-17-8-2-4-15(17)14-5-9-18-10-6-14;/h13-16H,1-12H2;1H
InChIKeyMBRMBYPRUBWIOG-UHFFFAOYSA-N
MW288.86 g/mol
LogP2.30
Rot. Bonds3

About 3-[[2-(oxan-4-yl)pyrrolidin-1-yl]methyl]piperidine;hydrochloride

3-[[2-(oxan-4-yl)pyrrolidin-1-yl]methyl]piperidine;hydrochloride (PubChem CID 120855567) has the molecular formula C15H29ClN2O and a molecular weight of 288.86 g/mol. Its IUPAC name is 3-[[2-(oxan-4-yl)pyrrolidin-1-yl]methyl]piperidine;hydrochloride.

Molecular Properties

Compound Name3-[[2-(oxan-4-yl)pyrrolidin-1-yl]methyl]piperidine;hydrochloride
PubChem CID120855567
Molecular FormulaC15H29ClN2O
Molecular Weight288.86 g/mol
Exact Mass288.20
IUPAC Name3-[[2-(oxan-4-yl)pyrrolidin-1-yl]methyl]piperidine;hydrochloride
SMILESC1CNCC(CN2CCCC2C2CCOCC2)C1.Cl
InChIInChI=1S/C15H28N2O.ClH/c1-3-13(11-16-7-1)12-17-8-2-4-15(17)14-5-9-18-10-6-14;/h13-16H,1-12H2;1H
InChIKeyMBRMBYPRUBWIOG-UHFFFAOYSA-N
XLogP2.30
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.86
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(oxan-4-ylmethyl)-2-piperidin-4-ylazepane
CID 64852197
3-[[3-(oxan-4-yl)pyrrolidin-1-yl]methyl]piperidine
CID 120849762
2-cyclopropyl-1-(oxan-4-ylmethyl)piperazine
CID 64833938
(3S)-3-[(2-ethylpyrrolidin-1-yl)methyl]piperidine
CID 130522112
3-[2-(oxan-4-yl)ethyl]piperidine;hydrochloride
CID 126845728
N,N-dimethyl-4-(piperidin-3-ylmethyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-7-amine;hydrochloride
CID 120854111
3-methyl-4-(piperidin-3-ylmethyl)morpholine
CID 43542278
4-methyl-2-[(2-piperidin-3-ylpyrrolidin-1-yl)methyl]morpholine
CID 79182589
2-(piperidin-3-ylmethyl)-9-oxa-2-azaspiro[5.5]undecane;hydrochloride
CID 119931803
(2S)-2-ethyl-1-[[(3S)-piperidin-3-yl]methyl]piperidine
CID 124814973
3-ethyl-3-methyl-4-(piperidin-3-ylmethyl)morpholine;hydrochloride
CID 120849148
2-(piperidin-3-ylmethyl)-7-oxa-2-azaspiro[3.5]nonane
CID 79677882

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(oxan-4-yl)pyrrolidin-1-yl]methyl]piperidine;hydrochloride?
The IUPAC name of 3-[[2-(oxan-4-yl)pyrrolidin-1-yl]methyl]piperidine;hydrochloride (CID 120855567) is 3-[[2-(oxan-4-yl)pyrrolidin-1-yl]methyl]piperidine;hydrochloride.
What is the SMILES notation for 3-[[2-(oxan-4-yl)pyrrolidin-1-yl]methyl]piperidine;hydrochloride?
The canonical SMILES for 3-[[2-(oxan-4-yl)pyrrolidin-1-yl]methyl]piperidine;hydrochloride is C1CNCC(CN2CCCC2C2CCOCC2)C1.Cl.
What is the InChIKey of 3-[[2-(oxan-4-yl)pyrrolidin-1-yl]methyl]piperidine;hydrochloride?
The InChIKey is MBRMBYPRUBWIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O.ClH/c1-3-13(11-16-7-1)12-17-8-2-4-15(17)14-5-9-18-10-6-14;/h13-16H,1-12H2;1H.
What are the key properties of 3-[[2-(oxan-4-yl)pyrrolidin-1-yl]methyl]piperidine;hydrochloride?
3-[[2-(oxan-4-yl)pyrrolidin-1-yl]methyl]piperidine;hydrochloride has a molecular weight of 288.86 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(oxan-4-yl)pyrrolidin-1-yl]methyl]piperidine;hydrochloride is sourced from PubChem (CID 120855567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).