1-propan-2-yl-4-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]piperidine

C23H47NO7 — CID 174243308

IUPAC1-propan-2-yl-4-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]piperidine
SMILESCCCOCCOCCOCCOCCOCCOCCOC1CCN(C(C)C)CC1
InChIInChI=1S/C23H47NO7/c1-4-9-25-10-11-26-12-13-27-14-15-28-16-17-29-18-19-30-20-21-31-23-5-7-24(8-6-23)22(2)3/h22-23H,4-21H2,1-3H3
InChIKeyZMQHWQVKHKSHGM-UHFFFAOYSA-N
MW449.63 g/mol
LogP2.39
Rot. Bonds22

About 1-propan-2-yl-4-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]piperidine

1-propan-2-yl-4-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]piperidine (PubChem CID 174243308) has the molecular formula C23H47NO7 and a molecular weight of 449.63 g/mol. Its IUPAC name is 1-propan-2-yl-4-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]piperidine.

Molecular Properties

Compound Name1-propan-2-yl-4-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]piperidine
PubChem CID174243308
Molecular FormulaC23H47NO7
Molecular Weight449.63 g/mol
Exact Mass449.34
IUPAC Name1-propan-2-yl-4-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]piperidine
SMILESCCCOCCOCCOCCOCCOCCOCCOC1CCN(C(C)C)CC1
InChIInChI=1S/C23H47NO7/c1-4-9-25-10-11-26-12-13-27-14-15-28-16-17-29-18-19-30-20-21-31-23-5-7-24(8-6-23)22(2)3/h22-23H,4-21H2,1-3H3
InChIKeyZMQHWQVKHKSHGM-UHFFFAOYSA-N
XLogP2.39
TPSA67.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds22
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.63
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-amino-3-[2-[2-[2-(1-propan-2-ylpiperidin-4-yl)oxyethoxy]ethoxy]ethyl]urea
CID 171081625
1-ethyl-4-[2-(1-propan-2-ylpiperidin-4-yl)oxyethyl]piperazine
CID 155702560
4-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-(2-methylpropyl)piperidine
CID 166035331
4-(2-propoxyethoxy)cyclohexan-1-amine
CID 63684379
(3R)-1-propan-2-yl-3-(2-propan-2-yloxyethoxy)pyrrolidine
CID 167156195
4-[2-(2-ethoxyethoxy)ethoxy]-1-propylpiperidine
CID 156885045
4-ethoxy-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine
CID 171070473
N-(2-cyclopentyloxyethyl)-1-propan-2-ylpiperidin-4-amine
CID 63823696
4-(2-bromoethoxy)-1-(2-propoxyethyl)piperidine
CID 106457799
N-propan-2-yl-2-(1-propan-2-ylpiperidin-4-yl)oxyacetamide
CID 172511111
4-(butoxymethyl)-1-propan-2-ylpiperidine
CID 176984206
2-butoxyethoxycyclobutane
CID 150038799

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]piperidine?
The IUPAC name of 1-propan-2-yl-4-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]piperidine (CID 174243308) is 1-propan-2-yl-4-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]piperidine.
What is the SMILES notation for 1-propan-2-yl-4-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]piperidine?
The canonical SMILES for 1-propan-2-yl-4-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]piperidine is CCCOCCOCCOCCOCCOCCOCCOC1CCN(C(C)C)CC1.
What is the InChIKey of 1-propan-2-yl-4-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]piperidine?
The InChIKey is ZMQHWQVKHKSHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H47NO7/c1-4-9-25-10-11-26-12-13-27-14-15-28-16-17-29-18-19-30-20-21-31-23-5-7-24(8-6-23)22(2)3/h22-23H,4-21H2,1-3H3.
What are the key properties of 1-propan-2-yl-4-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]piperidine?
1-propan-2-yl-4-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]piperidine has a molecular weight of 449.63 g/mol, XLogP of 2.39, 22 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]piperidine is sourced from PubChem (CID 174243308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).