1-(3-butoxypropyl)-N-ethylpiperidin-4-amine

C14H30N2O — CID 113481126

IUPAC1-(3-butoxypropyl)-N-ethylpiperidin-4-amine
SMILESCCCCOCCCN1CCC(NCC)CC1
InChIInChI=1S/C14H30N2O/c1-3-5-12-17-13-6-9-16-10-7-14(8-11-16)15-4-2/h14-15H,3-13H2,1-2H3
InChIKeyKWQZUHWSXNLRMQ-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.27
Rot. Bonds9

About 1-(3-butoxypropyl)-N-ethylpiperidin-4-amine

1-(3-butoxypropyl)-N-ethylpiperidin-4-amine (PubChem CID 113481126) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 1-(3-butoxypropyl)-N-ethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(3-butoxypropyl)-N-ethylpiperidin-4-amine
PubChem CID113481126
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name1-(3-butoxypropyl)-N-ethylpiperidin-4-amine
SMILESCCCCOCCCN1CCC(NCC)CC1
InChIInChI=1S/C14H30N2O/c1-3-5-12-17-13-6-9-16-10-7-14(8-11-16)15-4-2/h14-15H,3-13H2,1-2H3
InChIKeyKWQZUHWSXNLRMQ-UHFFFAOYSA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-N-ethylpiperidin-4-amine
CID 43314967
N-ethyl-1-pentylpiperidin-4-amine
CID 43315098
1-dodecyl-N-ethylpiperidin-4-amine
CID 63400728
1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-methylpiperidin-4-amine
CID 104560353
1-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl]-N-propan-2-ylpiperidin-4-amine
CID 155405108
N-ethyl-1-(2-pyrrolidin-1-ylethyl)piperidin-4-amine
CID 107910858
1-(3-ethoxypropyl)-N-methylpiperidin-4-amine
CID 43315421
1-(2-butoxyethyl)piperidin-4-ol
CID 61067988
N-ethyl-1-(4,4,4-trifluorobutyl)piperidin-4-amine
CID 115512946
1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]piperidin-4-amine
CID 104560351
N-ethyl-1-(7-methyloctyl)piperidin-4-amine
CID 114004129
N-(2-butoxyethyl)-1-ethylazepan-4-amine
CID 65073819

Frequently Asked Questions

What is the IUPAC name of 1-(3-butoxypropyl)-N-ethylpiperidin-4-amine?
The IUPAC name of 1-(3-butoxypropyl)-N-ethylpiperidin-4-amine (CID 113481126) is 1-(3-butoxypropyl)-N-ethylpiperidin-4-amine.
What is the SMILES notation for 1-(3-butoxypropyl)-N-ethylpiperidin-4-amine?
The canonical SMILES for 1-(3-butoxypropyl)-N-ethylpiperidin-4-amine is CCCCOCCCN1CCC(NCC)CC1.
What is the InChIKey of 1-(3-butoxypropyl)-N-ethylpiperidin-4-amine?
The InChIKey is KWQZUHWSXNLRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-3-5-12-17-13-6-9-16-10-7-14(8-11-16)15-4-2/h14-15H,3-13H2,1-2H3.
What are the key properties of 1-(3-butoxypropyl)-N-ethylpiperidin-4-amine?
1-(3-butoxypropyl)-N-ethylpiperidin-4-amine has a molecular weight of 242.41 g/mol, XLogP of 2.27, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-butoxypropyl)-N-ethylpiperidin-4-amine is sourced from PubChem (CID 113481126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).