N,N-diethyl-2-(2-phenyl-1-piperidin-4-ylethoxy)ethanamine;dihydrochloride

C19H34Cl2N2O — CID 3024476

IUPACN,N-diethyl-2-(2-phenyl-1-piperidin-4-ylethoxy)ethanamine;dihydrochloride
SMILESCCN(CC)CCOC(Cc1ccccc1)C1CCNCC1.Cl.Cl
InChIInChI=1S/C19H32N2O.2ClH/c1-3-21(4-2)14-15-22-19(18-10-12-20-13-11-18)16-17-8-6-5-7-9-17;;/h5-9,18-20H,3-4,10-16H2,1-2H3;2*1H
InChIKeyBCDDHVVBNCVUQU-UHFFFAOYSA-N
MW377.40 g/mol
LogP3.80
Rot. Bonds9

About N,N-diethyl-2-(2-phenyl-1-piperidin-4-ylethoxy)ethanamine;dihydrochloride

N,N-diethyl-2-(2-phenyl-1-piperidin-4-ylethoxy)ethanamine;dihydrochloride (PubChem CID 3024476) has the molecular formula C19H34Cl2N2O and a molecular weight of 377.40 g/mol. Its IUPAC name is N,N-diethyl-2-(2-phenyl-1-piperidin-4-ylethoxy)ethanamine;dihydrochloride.

Molecular Properties

Compound NameN,N-diethyl-2-(2-phenyl-1-piperidin-4-ylethoxy)ethanamine;dihydrochloride
PubChem CID3024476
Molecular FormulaC19H34Cl2N2O
Molecular Weight377.40 g/mol
Exact Mass376.20
IUPAC NameN,N-diethyl-2-(2-phenyl-1-piperidin-4-ylethoxy)ethanamine;dihydrochloride
SMILESCCN(CC)CCOC(Cc1ccccc1)C1CCNCC1.Cl.Cl
InChIInChI=1S/C19H32N2O.2ClH/c1-3-21(4-2)14-15-22-19(18-10-12-20-13-11-18)16-17-8-6-5-7-9-17;;/h5-9,18-20H,3-4,10-16H2,1-2H3;2*1H
InChIKeyBCDDHVVBNCVUQU-UHFFFAOYSA-N
XLogP3.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Benzylmorpholine
CID 125510
O-(1-Ethylpiperidin-3-yl) diphenylethanethioate--hydrogen chloride (1/1)
CID 42468
3-Hexanol, 4,4-diphenyl-6-morpholino-, hydrochloride
CID 44681
(2S)-2-benzylmorpholine
CID 22868801
(2R,3R,6S)-2-methyl-6-(9-phenylnonyl)piperidin-3-ol
CID 10925178
Hexane, 3-acetoxy-4,4-diphenyl-6-morpholino-, hydrochloride
CID 44811
Hexane, 3-propionoxy-4,4-diphenyl-6-morpholino-, hydrochloride
CID 44822
Acetic acid, (2,2-diphenyl-1-ethyl-4-morpholino)pentyl ester, hydrochloride
CID 48234
Ethylamine, N,N-dibutyl-2-(diphenylmethoxy)-, hydrochloride
CID 58336
Piperidine, 2-(alpha-cyclopentylbenzyl)-3-methoxy-, hydrochloride
CID 209511
Piperidine, 2-(alpha-cyclohexylbenzyl)-3-methoxy-, hydrochloride
CID 209519
Piperidine, 2-(alpha-(2-(diethylamino)ethoxy)phenethyl)-, dihydrochloride
CID 3024472

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(2-phenyl-1-piperidin-4-ylethoxy)ethanamine;dihydrochloride?
The IUPAC name of N,N-diethyl-2-(2-phenyl-1-piperidin-4-ylethoxy)ethanamine;dihydrochloride (CID 3024476) is N,N-diethyl-2-(2-phenyl-1-piperidin-4-ylethoxy)ethanamine;dihydrochloride.
What is the SMILES notation for N,N-diethyl-2-(2-phenyl-1-piperidin-4-ylethoxy)ethanamine;dihydrochloride?
The canonical SMILES for N,N-diethyl-2-(2-phenyl-1-piperidin-4-ylethoxy)ethanamine;dihydrochloride is CCN(CC)CCOC(Cc1ccccc1)C1CCNCC1.Cl.Cl.
What is the InChIKey of N,N-diethyl-2-(2-phenyl-1-piperidin-4-ylethoxy)ethanamine;dihydrochloride?
The InChIKey is BCDDHVVBNCVUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O.2ClH/c1-3-21(4-2)14-15-22-19(18-10-12-20-13-11-18)16-17-8-6-5-7-9-17;;/h5-9,18-20H,3-4,10-16H2,1-2H3;2*1H.
What are the key properties of N,N-diethyl-2-(2-phenyl-1-piperidin-4-ylethoxy)ethanamine;dihydrochloride?
N,N-diethyl-2-(2-phenyl-1-piperidin-4-ylethoxy)ethanamine;dihydrochloride has a molecular weight of 377.40 g/mol, XLogP of 3.80, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(2-phenyl-1-piperidin-4-ylethoxy)ethanamine;dihydrochloride is sourced from PubChem (CID 3024476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).