4-[2-(3,5-dimethoxyphenyl)ethyl]-1-(piperidin-3-ylmethyl)piperidine;hydrochloride

C21H35ClN2O2 — CID 119929930

IUPAC4-[2-(3,5-dimethoxyphenyl)ethyl]-1-(piperidin-3-ylmethyl)piperidine;hydrochloride
SMILESCOc1cc(CCC2CCN(CC3CCCNC3)CC2)cc(OC)c1.Cl
InChIInChI=1S/C21H34N2O2.ClH/c1-24-20-12-18(13-21(14-20)25-2)6-5-17-7-10-23(11-8-17)16-19-4-3-9-22-15-19;/h12-14,17,19,22H,3-11,15-16H2,1-2H3;1H
InChIKeyOKBKGTBDUSCTML-UHFFFAOYSA-N
MW382.98 g/mol
LogP3.77
Rot. Bonds7

About 4-[2-(3,5-dimethoxyphenyl)ethyl]-1-(piperidin-3-ylmethyl)piperidine;hydrochloride

4-[2-(3,5-dimethoxyphenyl)ethyl]-1-(piperidin-3-ylmethyl)piperidine;hydrochloride (PubChem CID 119929930) has the molecular formula C21H35ClN2O2 and a molecular weight of 382.98 g/mol. Its IUPAC name is 4-[2-(3,5-dimethoxyphenyl)ethyl]-1-(piperidin-3-ylmethyl)piperidine;hydrochloride.

Molecular Properties

Compound Name4-[2-(3,5-dimethoxyphenyl)ethyl]-1-(piperidin-3-ylmethyl)piperidine;hydrochloride
PubChem CID119929930
Molecular FormulaC21H35ClN2O2
Molecular Weight382.98 g/mol
Exact Mass382.24
IUPAC Name4-[2-(3,5-dimethoxyphenyl)ethyl]-1-(piperidin-3-ylmethyl)piperidine;hydrochloride
SMILESCOc1cc(CCC2CCN(CC3CCCNC3)CC2)cc(OC)c1.Cl
InChIInChI=1S/C21H34N2O2.ClH/c1-24-20-12-18(13-21(14-20)25-2)6-5-17-7-10-23(11-8-17)16-19-4-3-9-22-15-19;/h12-14,17,19,22H,3-11,15-16H2,1-2H3;1H
InChIKeyOKBKGTBDUSCTML-UHFFFAOYSA-N
XLogP3.77
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.98
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-methoxyphenyl)-1-(piperidin-3-ylmethyl)piperidine;hydrochloride
CID 119931163
7-methoxy-3-(piperidin-3-ylmethyl)-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride
CID 120847784
(3R)-3-[2-[(3,5-dimethoxyphenyl)methoxy]ethyl]piperidine
CID 86321802
2-[2-(3,5-dimethoxyphenyl)ethyl]pyrrolidine
CID 81148091
N,N-dimethyl-1-[1-(piperidin-3-ylmethyl)piperidin-4-yl]methanamine;hydrochloride
CID 120847679
3-[[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]methyl]pyridine
CID 86921160
4-(dimethoxymethyl)-1-(piperidin-3-ylmethyl)piperidine
CID 174255823
[1-(piperidin-3-ylmethyl)piperidin-4-yl]methanol
CID 80554337
(3S)-3-[(4-methoxypyrazol-1-yl)methyl]piperidine
CID 165430584
4-[(2-methoxyphenyl)methoxy]-1-(piperidin-3-ylmethyl)piperidine;hydrochloride
CID 120851446
3-(3,5-dimethoxyphenyl)-N-piperidin-3-ylpropanamide;hydrochloride
CID 119425554
4-tert-butyl-1-[[(3R)-piperidin-3-yl]methyl]piperidine;ethane
CID 166490138

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,5-dimethoxyphenyl)ethyl]-1-(piperidin-3-ylmethyl)piperidine;hydrochloride?
The IUPAC name of 4-[2-(3,5-dimethoxyphenyl)ethyl]-1-(piperidin-3-ylmethyl)piperidine;hydrochloride (CID 119929930) is 4-[2-(3,5-dimethoxyphenyl)ethyl]-1-(piperidin-3-ylmethyl)piperidine;hydrochloride.
What is the SMILES notation for 4-[2-(3,5-dimethoxyphenyl)ethyl]-1-(piperidin-3-ylmethyl)piperidine;hydrochloride?
The canonical SMILES for 4-[2-(3,5-dimethoxyphenyl)ethyl]-1-(piperidin-3-ylmethyl)piperidine;hydrochloride is COc1cc(CCC2CCN(CC3CCCNC3)CC2)cc(OC)c1.Cl.
What is the InChIKey of 4-[2-(3,5-dimethoxyphenyl)ethyl]-1-(piperidin-3-ylmethyl)piperidine;hydrochloride?
The InChIKey is OKBKGTBDUSCTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O2.ClH/c1-24-20-12-18(13-21(14-20)25-2)6-5-17-7-10-23(11-8-17)16-19-4-3-9-22-15-19;/h12-14,17,19,22H,3-11,15-16H2,1-2H3;1H.
What are the key properties of 4-[2-(3,5-dimethoxyphenyl)ethyl]-1-(piperidin-3-ylmethyl)piperidine;hydrochloride?
4-[2-(3,5-dimethoxyphenyl)ethyl]-1-(piperidin-3-ylmethyl)piperidine;hydrochloride has a molecular weight of 382.98 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,5-dimethoxyphenyl)ethyl]-1-(piperidin-3-ylmethyl)piperidine;hydrochloride is sourced from PubChem (CID 119929930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).