1-[1-(3-ethoxypropyl)piperidin-4-yl]piperazine

C14H29N3O — CID 95464281

IUPAC1-[1-(3-ethoxypropyl)piperidin-4-yl]piperazine
SMILESCCOCCCN1CCC(N2CCNCC2)CC1
InChIInChI=1S/C14H29N3O/c1-2-18-13-3-8-16-9-4-14(5-10-16)17-11-6-15-7-12-17/h14-15H,2-13H2,1H3
InChIKeyWLHOQNNQFGZETH-UHFFFAOYSA-N
MW255.41 g/mol
LogP0.78
Rot. Bonds6

About 1-[1-(3-ethoxypropyl)piperidin-4-yl]piperazine

1-[1-(3-ethoxypropyl)piperidin-4-yl]piperazine (PubChem CID 95464281) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 1-[1-(3-ethoxypropyl)piperidin-4-yl]piperazine.

Molecular Properties

Compound Name1-[1-(3-ethoxypropyl)piperidin-4-yl]piperazine
PubChem CID95464281
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name1-[1-(3-ethoxypropyl)piperidin-4-yl]piperazine
SMILESCCOCCCN1CCC(N2CCNCC2)CC1
InChIInChI=1S/C14H29N3O/c1-2-18-13-3-8-16-9-4-14(5-10-16)17-11-6-15-7-12-17/h14-15H,2-13H2,1H3
InChIKeyWLHOQNNQFGZETH-UHFFFAOYSA-N
XLogP0.78
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-ethoxypropyl)piperidin-4-amine
CID 18001948
1-(3-ethoxypropyl)-N-methylpiperidin-4-amine
CID 43315421
3-ethoxy-N-(2-piperazin-1-ylethyl)propan-1-amine
CID 139481440
1-[1-[2-(3-methoxypropoxy)ethyl]azetidin-3-yl]piperazine
CID 103181610
N-tert-butyl-2-[2-[4-[(4-piperazin-1-ylpiperidin-1-yl)methyl]piperidin-1-yl]ethoxy]acetamide
CID 172511665
1-[3-(2-ethoxyethoxy)propyl]pyrrolidine
CID 58400633
4-[4-(3-piperazin-1-ylpropyl)piperazin-1-yl]piperidin-1-amine
CID 167027444
N-[[1-(3-ethoxypropyl)piperidin-4-yl]methyl]ethanamine
CID 65175474
4-(3-ethoxypropyl)-1-oxa-4,9-diazacycloundecane
CID 142597171
ethane;1-(3-ethoxypropyl)pyrrolidine;methane;propane
CID 156885032
1-(3-propoxypropyl)-1,5-diazocane
CID 82947499
ethane;2-[1-(3-ethoxypropyl)piperidin-4-yl]propan-2-ol
CID 154661407

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-ethoxypropyl)piperidin-4-yl]piperazine?
The IUPAC name of 1-[1-(3-ethoxypropyl)piperidin-4-yl]piperazine (CID 95464281) is 1-[1-(3-ethoxypropyl)piperidin-4-yl]piperazine.
What is the SMILES notation for 1-[1-(3-ethoxypropyl)piperidin-4-yl]piperazine?
The canonical SMILES for 1-[1-(3-ethoxypropyl)piperidin-4-yl]piperazine is CCOCCCN1CCC(N2CCNCC2)CC1.
What is the InChIKey of 1-[1-(3-ethoxypropyl)piperidin-4-yl]piperazine?
The InChIKey is WLHOQNNQFGZETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-2-18-13-3-8-16-9-4-14(5-10-16)17-11-6-15-7-12-17/h14-15H,2-13H2,1H3.
What are the key properties of 1-[1-(3-ethoxypropyl)piperidin-4-yl]piperazine?
1-[1-(3-ethoxypropyl)piperidin-4-yl]piperazine has a molecular weight of 255.41 g/mol, XLogP of 0.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-ethoxypropyl)piperidin-4-yl]piperazine is sourced from PubChem (CID 95464281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).