N,N-dimethyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-amine;dihydrochloride

C18H32Cl2N2O — CID 3079543

IUPACN,N-dimethyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-amine;dihydrochloride
SMILESCC(Cc1ccc(OCCN2CCCCC2)cc1)N(C)C.Cl.Cl
InChIInChI=1S/C18H30N2O.2ClH/c1-16(19(2)3)15-17-7-9-18(10-8-17)21-14-13-20-11-5-4-6-12-20;;/h7-10,16H,4-6,11-15H2,1-3H3;2*1H
InChIKeySVFDTFOEDNJIBV-UHFFFAOYSA-N
MW363.37 g/mol
LogP3.89
Rot. Bonds7

About N,N-dimethyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-amine;dihydrochloride

N,N-dimethyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-amine;dihydrochloride (PubChem CID 3079543) has the molecular formula C18H32Cl2N2O and a molecular weight of 363.37 g/mol. Its IUPAC name is N,N-dimethyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-amine;dihydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-amine;dihydrochloride
PubChem CID3079543
Molecular FormulaC18H32Cl2N2O
Molecular Weight363.37 g/mol
Exact Mass362.19
IUPAC NameN,N-dimethyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-amine;dihydrochloride
SMILESCC(Cc1ccc(OCCN2CCCCC2)cc1)N(C)C.Cl.Cl
InChIInChI=1S/C18H30N2O.2ClH/c1-16(19(2)3)15-17-7-9-18(10-8-17)21-14-13-20-11-5-4-6-12-20;;/h7-10,16H,4-6,11-15H2,1-3H3;2*1H
InChIKeySVFDTFOEDNJIBV-UHFFFAOYSA-N
XLogP3.89
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-ethylphenoxy)ethyl]piperidine
CID 867198
1-[2-(4-propoxyphenoxy)ethyl]piperidine;hydrochloride
CID 3030633
N-ethyl-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]ethanamine
CID 46890555
[4-[2-(azepan-1-yl)ethoxy]phenyl]methanol;hydrochloride
CID 78358370
1-[2-(4-propylphenoxy)ethyl]pyrrolidine
CID 54244276
1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidine
CID 803619
(2R)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylpropan-2-amine
CID 827396
1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209
1-[2-[4-(3-methyl-1-phenylbutan-2-yl)phenoxy]ethyl]piperidine
CID 173305671
1-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]piperidine
CID 70865812
(1S)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-1-amine
CID 78937096
[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol
CID 10751471

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-amine;dihydrochloride?
The IUPAC name of N,N-dimethyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-amine;dihydrochloride (CID 3079543) is N,N-dimethyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-amine;dihydrochloride.
What is the SMILES notation for N,N-dimethyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-amine;dihydrochloride?
The canonical SMILES for N,N-dimethyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-amine;dihydrochloride is CC(Cc1ccc(OCCN2CCCCC2)cc1)N(C)C.Cl.Cl.
What is the InChIKey of N,N-dimethyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-amine;dihydrochloride?
The InChIKey is SVFDTFOEDNJIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O.2ClH/c1-16(19(2)3)15-17-7-9-18(10-8-17)21-14-13-20-11-5-4-6-12-20;;/h7-10,16H,4-6,11-15H2,1-3H3;2*1H.
What are the key properties of N,N-dimethyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-amine;dihydrochloride?
N,N-dimethyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-amine;dihydrochloride has a molecular weight of 363.37 g/mol, XLogP of 3.89, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-amine;dihydrochloride is sourced from PubChem (CID 3079543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).