2-[1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]ethanamine;hydrochloride

C19H31ClN2O2 — CID 120728663

IUPAC2-[1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]ethanamine;hydrochloride
SMILESCl.NCCC1CCCN(Cc2ccc(OCC3CCCO3)cc2)C1
InChIInChI=1S/C19H30N2O2.ClH/c20-10-9-16-3-1-11-21(13-16)14-17-5-7-18(8-6-17)23-15-19-4-2-12-22-19;/h5-8,16,19H,1-4,9-15,20H2;1H
InChIKeyIICUKVYSRGACKO-UHFFFAOYSA-N
MW354.92 g/mol
LogP3.23
Rot. Bonds7

About 2-[1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]ethanamine;hydrochloride

2-[1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]ethanamine;hydrochloride (PubChem CID 120728663) has the molecular formula C19H31ClN2O2 and a molecular weight of 354.92 g/mol. Its IUPAC name is 2-[1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]ethanamine;hydrochloride
PubChem CID120728663
Molecular FormulaC19H31ClN2O2
Molecular Weight354.92 g/mol
Exact Mass354.21
IUPAC Name2-[1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]ethanamine;hydrochloride
SMILESCl.NCCC1CCCN(Cc2ccc(OCC3CCCO3)cc2)C1
InChIInChI=1S/C19H30N2O2.ClH/c20-10-9-16-3-1-11-21(13-16)14-17-5-7-18(8-6-17)23-15-19-4-2-12-22-19;/h5-8,16,19H,1-4,9-15,20H2;1H
InChIKeyIICUKVYSRGACKO-UHFFFAOYSA-N
XLogP3.23
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.92
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]ethanamine;hydrochloride with MolForge

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Related Compounds

2-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728185
4-methyl-1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-amine;hydrochloride
CID 120909762
1-(3-fluorophenyl)-3-[[(3R)-1-[[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]piperidin-3-yl]methyl]urea
CID 124859539
1-(3-fluorophenyl)-3-[[(3S)-1-[[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]piperidin-3-yl]methyl]urea
CID 124859538
1-(3-fluorophenyl)-3-[[1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]methyl]urea
CID 71908791
3-[4-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]piperazin-1-yl]propanenitrile
CID 54856534
2-[1-[(3-chloro-4-methoxyphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728671
[4-[4-(oxolan-2-ylmethoxy)phenyl]phenyl]methanamine
CID 43174548
2-[1-(naphthalen-2-ylmethyl)piperidin-3-yl]ethanamine;hydrochloride
CID 120728409
3-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]propan-1-amine
CID 83982840
2-[1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728410
2-[1-(oxan-2-ylmethyl)piperidin-3-yl]ethanamine
CID 63762643

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]ethanamine;hydrochloride?
The IUPAC name of 2-[1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]ethanamine;hydrochloride (CID 120728663) is 2-[1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]ethanamine;hydrochloride.
What is the SMILES notation for 2-[1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]ethanamine;hydrochloride?
The canonical SMILES for 2-[1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]ethanamine;hydrochloride is Cl.NCCC1CCCN(Cc2ccc(OCC3CCCO3)cc2)C1.
What is the InChIKey of 2-[1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]ethanamine;hydrochloride?
The InChIKey is IICUKVYSRGACKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2.ClH/c20-10-9-16-3-1-11-21(13-16)14-17-5-7-18(8-6-17)23-15-19-4-2-12-22-19;/h5-8,16,19H,1-4,9-15,20H2;1H.
What are the key properties of 2-[1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]ethanamine;hydrochloride?
2-[1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]ethanamine;hydrochloride has a molecular weight of 354.92 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]ethanamine;hydrochloride is sourced from PubChem (CID 120728663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).