ethane;2-[(3S)-3-(piperazin-1-ylmethyl)pyrrolidin-1-yl]ethanol;propane

C16H37N3O — CID 142386268

IUPACethane;2-[(3S)-3-(piperazin-1-ylmethyl)pyrrolidin-1-yl]ethanol;propane
SMILESCC.CCC.OCCN1CC[C@@H](CN2CCNCC2)C1
InChIInChI=1S/C11H23N3O.C3H8.C2H6/c15-8-7-13-4-1-11(9-13)10-14-5-2-12-3-6-14;1-3-2;1-2/h11-12,15H,1-10H2;3H2,1-2H3;1-2H3/t11-;;/m1../s1
InChIKeyGYAZIGLMXZOMJV-NVJADKKVSA-N
MW287.49 g/mol
LogP1.65
Rot. Bonds4

About ethane;2-[(3S)-3-(piperazin-1-ylmethyl)pyrrolidin-1-yl]ethanol;propane

ethane;2-[(3S)-3-(piperazin-1-ylmethyl)pyrrolidin-1-yl]ethanol;propane (PubChem CID 142386268) has the molecular formula C16H37N3O and a molecular weight of 287.49 g/mol. Its IUPAC name is ethane;2-[(3S)-3-(piperazin-1-ylmethyl)pyrrolidin-1-yl]ethanol;propane.

Molecular Properties

Compound Nameethane;2-[(3S)-3-(piperazin-1-ylmethyl)pyrrolidin-1-yl]ethanol;propane
PubChem CID142386268
Molecular FormulaC16H37N3O
Molecular Weight287.49 g/mol
Exact Mass287.29
IUPAC Nameethane;2-[(3S)-3-(piperazin-1-ylmethyl)pyrrolidin-1-yl]ethanol;propane
SMILESCC.CCC.OCCN1CC[C@@H](CN2CCNCC2)C1
InChIInChI=1S/C11H23N3O.C3H8.C2H6/c15-8-7-13-4-1-11(9-13)10-14-5-2-12-3-6-14;1-3-2;1-2/h11-12,15H,1-10H2;3H2,1-2H3;1-2H3/t11-;;/m1../s1
InChIKeyGYAZIGLMXZOMJV-NVJADKKVSA-N
XLogP1.65
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.49
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

cyclobutanol;ethane;2-[4-(2-piperazin-1-ylethyl)piperidin-1-yl]ethanol;propane
CID 156719822
1-[[(3S)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]methyl]piperazine
CID 154957359
ethane;2-(4-ethylpiperidin-1-yl)ethanol
CID 143029211
methanamine;2-piperazin-1-ylethanol
CID 142253011
[1-(piperidin-4-ylmethyl)pyrrolidin-3-yl]methanol
CID 112629419
2-[4,7-bis(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanol
CID 70808226
2-piperazin-1-ylethanol;dihydrochloride
CID 21254470
2-(1,4,7,10-tetrazacyclododec-1-yl)ethanol
CID 12963738
azane;2-piperazin-1-ylethanol
CID 23318747
2-[1-(piperidin-4-ylmethyl)pyrrolidin-3-yl]ethanol
CID 115741583
2-[3-(ethoxymethyl)pyrrolidin-1-yl]ethanol
CID 121201448
ethene;2-piperazin-1-ylethanol
CID 175244492

Frequently Asked Questions

What is the IUPAC name of ethane;2-[(3S)-3-(piperazin-1-ylmethyl)pyrrolidin-1-yl]ethanol;propane?
The IUPAC name of ethane;2-[(3S)-3-(piperazin-1-ylmethyl)pyrrolidin-1-yl]ethanol;propane (CID 142386268) is ethane;2-[(3S)-3-(piperazin-1-ylmethyl)pyrrolidin-1-yl]ethanol;propane.
What is the SMILES notation for ethane;2-[(3S)-3-(piperazin-1-ylmethyl)pyrrolidin-1-yl]ethanol;propane?
The canonical SMILES for ethane;2-[(3S)-3-(piperazin-1-ylmethyl)pyrrolidin-1-yl]ethanol;propane is CC.CCC.OCCN1CC[C@@H](CN2CCNCC2)C1.
What is the InChIKey of ethane;2-[(3S)-3-(piperazin-1-ylmethyl)pyrrolidin-1-yl]ethanol;propane?
The InChIKey is GYAZIGLMXZOMJV-NVJADKKVSA-N. The full InChI is InChI=1S/C11H23N3O.C3H8.C2H6/c15-8-7-13-4-1-11(9-13)10-14-5-2-12-3-6-14;1-3-2;1-2/h11-12,15H,1-10H2;3H2,1-2H3;1-2H3/t11-;;/m1../s1.
What are the key properties of ethane;2-[(3S)-3-(piperazin-1-ylmethyl)pyrrolidin-1-yl]ethanol;propane?
ethane;2-[(3S)-3-(piperazin-1-ylmethyl)pyrrolidin-1-yl]ethanol;propane has a molecular weight of 287.49 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[(3S)-3-(piperazin-1-ylmethyl)pyrrolidin-1-yl]ethanol;propane is sourced from PubChem (CID 142386268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).