1-[2-[3-(5-ethoxypentyl)phenoxy]ethyl]-N-propan-2-ylpiperidin-3-amine;molecular hydrogen

C23H42N2O2 — CID 142389356

IUPAC1-[2-[3-(5-ethoxypentyl)phenoxy]ethyl]-N-propan-2-ylpiperidin-3-amine;molecular hydrogen
SMILESCCOCCCCCc1cccc(OCCN2CCCC(NC(C)C)C2)c1.[H][H]
InChIInChI=1S/C23H40N2O2.H2/c1-4-26-16-7-5-6-10-21-11-8-13-23(18-21)27-17-15-25-14-9-12-22(19-25)24-20(2)3;/h8,11,13,18,20,22,24H,4-7,9-10,12,14-17,19H2,1-3H3;1H
InChIKeyMLXLQQANZJWQPM-UHFFFAOYSA-N
MW378.60 g/mol
LogP4.52
Rot. Bonds13

About 1-[2-[3-(5-ethoxypentyl)phenoxy]ethyl]-N-propan-2-ylpiperidin-3-amine;molecular hydrogen

1-[2-[3-(5-ethoxypentyl)phenoxy]ethyl]-N-propan-2-ylpiperidin-3-amine;molecular hydrogen (PubChem CID 142389356) has the molecular formula C23H42N2O2 and a molecular weight of 378.60 g/mol. Its IUPAC name is 1-[2-[3-(5-ethoxypentyl)phenoxy]ethyl]-N-propan-2-ylpiperidin-3-amine;molecular hydrogen.

Molecular Properties

Compound Name1-[2-[3-(5-ethoxypentyl)phenoxy]ethyl]-N-propan-2-ylpiperidin-3-amine;molecular hydrogen
PubChem CID142389356
Molecular FormulaC23H42N2O2
Molecular Weight378.60 g/mol
Exact Mass378.32
IUPAC Name1-[2-[3-(5-ethoxypentyl)phenoxy]ethyl]-N-propan-2-ylpiperidin-3-amine;molecular hydrogen
SMILESCCOCCCCCc1cccc(OCCN2CCCC(NC(C)C)C2)c1.[H][H]
InChIInChI=1S/C23H40N2O2.H2/c1-4-26-16-7-5-6-10-21-11-8-13-23(18-21)27-17-15-25-14-9-12-22(19-25)24-20(2)3;/h8,11,13,18,20,22,24H,4-7,9-10,12,14-17,19H2,1-3H3;1H
InChIKeyMLXLQQANZJWQPM-UHFFFAOYSA-N
XLogP4.52
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.60
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(3-fluorophenoxy)ethyl]-N-methylpiperidin-3-amine
CID 119919442
N-tert-butyl-3-[2-[3-(5-propan-2-yloxypentyl)phenoxy]ethyl]-1,3-diazinan-1-amine
CID 167241660
N-methyl-2-[3-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine
CID 170714078
3-[2-(3-ethoxypiperidin-1-yl)ethoxy]aniline
CID 54985182
1-(7-cyclopentylheptoxy)-3-nonylbenzene
CID 173313656
N-[[3-(2-ethoxyethoxy)phenyl]methyl]cyclopentanamine
CID 54798922
1-[(3-heptoxyphenyl)methyl]piperidine-3-carbohydrazide
CID 54848441
N-propan-2-yl-1-(2-thiophen-2-ylethyl)piperidin-3-amine
CID 63776852
1-(3-ethoxypropoxy)-3-ethylbenzene
CID 65178127
1-[2-[3-(aminomethyl)phenoxy]ethyl]-3-methylpiperidin-4-ol
CID 114678030
[3-[2-(4-methylazepan-1-yl)ethoxy]phenyl]methanamine
CID 63623878
2-[2-(3-methylphenoxy)ethyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 49235633

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(5-ethoxypentyl)phenoxy]ethyl]-N-propan-2-ylpiperidin-3-amine;molecular hydrogen?
The IUPAC name of 1-[2-[3-(5-ethoxypentyl)phenoxy]ethyl]-N-propan-2-ylpiperidin-3-amine;molecular hydrogen (CID 142389356) is 1-[2-[3-(5-ethoxypentyl)phenoxy]ethyl]-N-propan-2-ylpiperidin-3-amine;molecular hydrogen.
What is the SMILES notation for 1-[2-[3-(5-ethoxypentyl)phenoxy]ethyl]-N-propan-2-ylpiperidin-3-amine;molecular hydrogen?
The canonical SMILES for 1-[2-[3-(5-ethoxypentyl)phenoxy]ethyl]-N-propan-2-ylpiperidin-3-amine;molecular hydrogen is CCOCCCCCc1cccc(OCCN2CCCC(NC(C)C)C2)c1.[H][H].
What is the InChIKey of 1-[2-[3-(5-ethoxypentyl)phenoxy]ethyl]-N-propan-2-ylpiperidin-3-amine;molecular hydrogen?
The InChIKey is MLXLQQANZJWQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40N2O2.H2/c1-4-26-16-7-5-6-10-21-11-8-13-23(18-21)27-17-15-25-14-9-12-22(19-25)24-20(2)3;/h8,11,13,18,20,22,24H,4-7,9-10,12,14-17,19H2,1-3H3;1H.
What are the key properties of 1-[2-[3-(5-ethoxypentyl)phenoxy]ethyl]-N-propan-2-ylpiperidin-3-amine;molecular hydrogen?
1-[2-[3-(5-ethoxypentyl)phenoxy]ethyl]-N-propan-2-ylpiperidin-3-amine;molecular hydrogen has a molecular weight of 378.60 g/mol, XLogP of 4.52, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(5-ethoxypentyl)phenoxy]ethyl]-N-propan-2-ylpiperidin-3-amine;molecular hydrogen is sourced from PubChem (CID 142389356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).