2-[3-(4,4-diethylpiperidin-1-yl)propyl]aniline

C18H30N2 — CID 107274472

IUPAC2-[3-(4,4-diethylpiperidin-1-yl)propyl]aniline
SMILESCCC1(CC)CCN(CCCc2ccccc2N)CC1
InChIInChI=1S/C18H30N2/c1-3-18(4-2)11-14-20(15-12-18)13-7-9-16-8-5-6-10-17(16)19/h5-6,8,10H,3-4,7,9,11-15,19H2,1-2H3
InChIKeyOLGJQJFAJISTML-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.10
Rot. Bonds6

About 2-[3-(4,4-diethylpiperidin-1-yl)propyl]aniline

2-[3-(4,4-diethylpiperidin-1-yl)propyl]aniline (PubChem CID 107274472) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 2-[3-(4,4-diethylpiperidin-1-yl)propyl]aniline.

Molecular Properties

Compound Name2-[3-(4,4-diethylpiperidin-1-yl)propyl]aniline
PubChem CID107274472
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name2-[3-(4,4-diethylpiperidin-1-yl)propyl]aniline
SMILESCCC1(CC)CCN(CCCc2ccccc2N)CC1
InChIInChI=1S/C18H30N2/c1-3-18(4-2)11-14-20(15-12-18)13-7-9-16-8-5-6-10-17(16)19/h5-6,8,10H,3-4,7,9,11-15,19H2,1-2H3
InChIKeyOLGJQJFAJISTML-UHFFFAOYSA-N
XLogP4.10
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-piperidin-1-ylpropyl)aniline
CID 28721004
2-(3-piperazin-1-ylpropyl)aniline
CID 82161391
2-[3-(4-ethoxypiperidin-1-yl)propyl]aniline
CID 107274331
3-[(4,4-diethylpiperidin-1-yl)methyl]-2-fluoroaniline
CID 107347423
3-(2-aminophenyl)-1-(4,4-diethylpiperidin-1-yl)propan-1-one
CID 63162343
2-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]aniline
CID 28721045
2-[3-(3-propan-2-ylpyrrolidin-1-yl)propyl]aniline
CID 107274590
2-[2-(azocan-1-yl)ethyl]aniline
CID 62495227
7-(4,4-diethylpiperidin-1-yl)heptan-1-amine
CID 55159303
2-[3-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]propyl]aniline;dihydrochloride
CID 22990952
2-tetradecylaniline
CID 22218918
2-[3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]propyl]aniline
CID 107274621

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4,4-diethylpiperidin-1-yl)propyl]aniline?
The IUPAC name of 2-[3-(4,4-diethylpiperidin-1-yl)propyl]aniline (CID 107274472) is 2-[3-(4,4-diethylpiperidin-1-yl)propyl]aniline.
What is the SMILES notation for 2-[3-(4,4-diethylpiperidin-1-yl)propyl]aniline?
The canonical SMILES for 2-[3-(4,4-diethylpiperidin-1-yl)propyl]aniline is CCC1(CC)CCN(CCCc2ccccc2N)CC1.
What is the InChIKey of 2-[3-(4,4-diethylpiperidin-1-yl)propyl]aniline?
The InChIKey is OLGJQJFAJISTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-3-18(4-2)11-14-20(15-12-18)13-7-9-16-8-5-6-10-17(16)19/h5-6,8,10H,3-4,7,9,11-15,19H2,1-2H3.
What are the key properties of 2-[3-(4,4-diethylpiperidin-1-yl)propyl]aniline?
2-[3-(4,4-diethylpiperidin-1-yl)propyl]aniline has a molecular weight of 274.45 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4,4-diethylpiperidin-1-yl)propyl]aniline is sourced from PubChem (CID 107274472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).