1-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl]-N-propan-2-ylpiperidin-4-amine

C20H42N2O4 — CID 155405108

IUPAC1-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl]-N-propan-2-ylpiperidin-4-amine
SMILESCCCCOCCOCCOCCOCCN1CCC(NC(C)C)CC1
InChIInChI=1S/C20H42N2O4/c1-4-5-11-23-13-15-25-17-18-26-16-14-24-12-10-22-8-6-20(7-9-22)21-19(2)3/h19-21H,4-18H2,1-3H3
InChIKeyCKXSFQGNHKMXSK-UHFFFAOYSA-N
MW374.57 g/mol
LogP2.32
Rot. Bonds17

About 1-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl]-N-propan-2-ylpiperidin-4-amine

1-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl]-N-propan-2-ylpiperidin-4-amine (PubChem CID 155405108) has the molecular formula C20H42N2O4 and a molecular weight of 374.57 g/mol. Its IUPAC name is 1-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl]-N-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound Name1-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl]-N-propan-2-ylpiperidin-4-amine
PubChem CID155405108
Molecular FormulaC20H42N2O4
Molecular Weight374.57 g/mol
Exact Mass374.31
IUPAC Name1-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl]-N-propan-2-ylpiperidin-4-amine
SMILESCCCCOCCOCCOCCOCCN1CCC(NC(C)C)CC1
InChIInChI=1S/C20H42N2O4/c1-4-5-11-23-13-15-25-17-18-26-16-14-24-12-10-22-8-6-20(7-9-22)21-19(2)3/h19-21H,4-18H2,1-3H3
InChIKeyCKXSFQGNHKMXSK-UHFFFAOYSA-N
XLogP2.32
TPSA52.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.57
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-N-propan-2-ylpiperidin-4-amine
CID 43748392
1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-methylpiperidin-4-amine
CID 104560353
1-[2-[2-[2-(2-methylpropylamino)ethoxy]ethoxy]ethyl]-N-propan-2-ylpiperidin-4-amine
CID 153390614
2-methyl-N-[2-[2-[2-[2-[4-(propan-2-ylamino)piperidin-1-yl]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 138728006
1-(3-butoxypropyl)-N-ethylpiperidin-4-amine
CID 113481126
1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]piperidin-4-amine
CID 104560351
1-[5-(methylamino)pentyl]-N-propan-2-ylpiperidin-4-amine
CID 155741227
1-butyl-N-(3-methylbutan-2-yl)piperidin-4-amine
CID 43748354
1-(2-butoxyethyl)piperidin-4-ol
CID 61067988
1-(3-methylbutyl)-N-propan-2-ylpiperidin-4-amine
CID 164928841
1-[3-(4-tert-butylphenoxy)propyl]-N-propan-2-ylpiperidin-4-amine
CID 56542513
1-[2-(2-decoxyethoxy)ethyl]piperidine
CID 175686195

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl]-N-propan-2-ylpiperidin-4-amine?
The IUPAC name of 1-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl]-N-propan-2-ylpiperidin-4-amine (CID 155405108) is 1-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl]-N-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for 1-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl]-N-propan-2-ylpiperidin-4-amine?
The canonical SMILES for 1-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl]-N-propan-2-ylpiperidin-4-amine is CCCCOCCOCCOCCOCCN1CCC(NC(C)C)CC1.
What is the InChIKey of 1-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl]-N-propan-2-ylpiperidin-4-amine?
The InChIKey is CKXSFQGNHKMXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42N2O4/c1-4-5-11-23-13-15-25-17-18-26-16-14-24-12-10-22-8-6-20(7-9-22)21-19(2)3/h19-21H,4-18H2,1-3H3.
What are the key properties of 1-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl]-N-propan-2-ylpiperidin-4-amine?
1-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl]-N-propan-2-ylpiperidin-4-amine has a molecular weight of 374.57 g/mol, XLogP of 2.32, 17 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl]-N-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 155405108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).