N,N-diethyl-4-piperidin-4-ylbutan-1-amine

C13H28N2 — CID 10081918

IUPACN,N-diethyl-4-piperidin-4-ylbutan-1-amine
SMILESCCN(CC)CCCCC1CCNCC1
InChIInChI=1S/C13H28N2/c1-3-15(4-2)12-6-5-7-13-8-10-14-11-9-13/h13-14H,3-12H2,1-2H3
InChIKeyPCDGHYIREOOHMR-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.50
Rot. Bonds7

About N,N-diethyl-4-piperidin-4-ylbutan-1-amine

N,N-diethyl-4-piperidin-4-ylbutan-1-amine (PubChem CID 10081918) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N,N-diethyl-4-piperidin-4-ylbutan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-4-piperidin-4-ylbutan-1-amine
PubChem CID10081918
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN,N-diethyl-4-piperidin-4-ylbutan-1-amine
SMILESCCN(CC)CCCCC1CCNCC1
InChIInChI=1S/C13H28N2/c1-3-15(4-2)12-6-5-7-13-8-10-14-11-9-13/h13-14H,3-12H2,1-2H3
InChIKeyPCDGHYIREOOHMR-UHFFFAOYSA-N
XLogP2.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-ethyl-N,N-dimethyl-N'-(3-piperidin-4-ylpropyl)propane-1,3-diamine
CID 102994383
N,2-diethyl-N-(3-piperidin-4-ylpropyl)butan-1-amine
CID 62212514
10-cyclohexyl-N,N-diethyldecan-1-amine;hydrate
CID 173347428
N,N-diethyl-2-(2-piperidin-4-ylethoxy)ethanamine
CID 15057325
N-ethyl-N-(piperidin-4-ylmethyl)hexan-1-amine
CID 79715887
4-hexadecylpiperidine
CID 54096875
N',N'-diethyl-N-(piperidin-4-ylmethyl)propane-1,3-diamine
CID 79698915
N-[3-(diethylamino)propyl]-N-ethyl-3-piperidin-4-ylpropanamide
CID 102992986
N,N-diethyl-2-[(3S)-pyrrolidin-3-yl]ethanamine
CID 126580755
5-[ethyl(piperidin-4-ylmethyl)amino]pentan-1-ol
CID 79716629
4-heptylpiperidine;methane
CID 144690559
N-ethyl-4-methylsulfanyl-N-(piperidin-4-ylmethyl)butan-1-amine
CID 103089513

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-piperidin-4-ylbutan-1-amine?
The IUPAC name of N,N-diethyl-4-piperidin-4-ylbutan-1-amine (CID 10081918) is N,N-diethyl-4-piperidin-4-ylbutan-1-amine.
What is the SMILES notation for N,N-diethyl-4-piperidin-4-ylbutan-1-amine?
The canonical SMILES for N,N-diethyl-4-piperidin-4-ylbutan-1-amine is CCN(CC)CCCCC1CCNCC1.
What is the InChIKey of N,N-diethyl-4-piperidin-4-ylbutan-1-amine?
The InChIKey is PCDGHYIREOOHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-3-15(4-2)12-6-5-7-13-8-10-14-11-9-13/h13-14H,3-12H2,1-2H3.
What are the key properties of N,N-diethyl-4-piperidin-4-ylbutan-1-amine?
N,N-diethyl-4-piperidin-4-ylbutan-1-amine has a molecular weight of 212.38 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-piperidin-4-ylbutan-1-amine is sourced from PubChem (CID 10081918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).