ethane;1-ethyl-3-[[4-[(1-methylpiperidin-4-yl)methyl]piperidin-1-yl]methyl]piperidine

C24H51N3 — CID 171641483

IUPACethane;1-ethyl-3-[[4-[(1-methylpiperidin-4-yl)methyl]piperidin-1-yl]methyl]piperidine
SMILESCC.CC.CCN1CCCC(CN2CCC(CC3CCN(C)CC3)CC2)C1
InChIInChI=1S/C20H39N3.2C2H6/c1-3-22-10-4-5-20(16-22)17-23-13-8-19(9-14-23)15-18-6-11-21(2)12-7-18;2*1-2/h18-20H,3-17H2,1-2H3;2*1-2H3
InChIKeyDCKAHLPSGNUGBA-UHFFFAOYSA-N
MW381.69 g/mol
LogP5.21
Rot. Bonds5

About ethane;1-ethyl-3-[[4-[(1-methylpiperidin-4-yl)methyl]piperidin-1-yl]methyl]piperidine

ethane;1-ethyl-3-[[4-[(1-methylpiperidin-4-yl)methyl]piperidin-1-yl]methyl]piperidine (PubChem CID 171641483) has the molecular formula C24H51N3 and a molecular weight of 381.69 g/mol. Its IUPAC name is ethane;1-ethyl-3-[[4-[(1-methylpiperidin-4-yl)methyl]piperidin-1-yl]methyl]piperidine.

Molecular Properties

Compound Nameethane;1-ethyl-3-[[4-[(1-methylpiperidin-4-yl)methyl]piperidin-1-yl]methyl]piperidine
PubChem CID171641483
Molecular FormulaC24H51N3
Molecular Weight381.69 g/mol
Exact Mass381.41
IUPAC Nameethane;1-ethyl-3-[[4-[(1-methylpiperidin-4-yl)methyl]piperidin-1-yl]methyl]piperidine
SMILESCC.CC.CCN1CCCC(CN2CCC(CC3CCN(C)CC3)CC2)C1
InChIInChI=1S/C20H39N3.2C2H6/c1-3-22-10-4-5-20(16-22)17-23-13-8-19(9-14-23)15-18-6-11-21(2)12-7-18;2*1-2/h18-20H,3-17H2,1-2H3;2*1-2H3
InChIKeyDCKAHLPSGNUGBA-UHFFFAOYSA-N
XLogP5.21
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.69
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-3-[[4-[(1-methylpiperidin-4-yl)methyl]piperidin-1-yl]methyl]piperidine?
The IUPAC name of ethane;1-ethyl-3-[[4-[(1-methylpiperidin-4-yl)methyl]piperidin-1-yl]methyl]piperidine (CID 171641483) is ethane;1-ethyl-3-[[4-[(1-methylpiperidin-4-yl)methyl]piperidin-1-yl]methyl]piperidine.
What is the SMILES notation for ethane;1-ethyl-3-[[4-[(1-methylpiperidin-4-yl)methyl]piperidin-1-yl]methyl]piperidine?
The canonical SMILES for ethane;1-ethyl-3-[[4-[(1-methylpiperidin-4-yl)methyl]piperidin-1-yl]methyl]piperidine is CC.CC.CCN1CCCC(CN2CCC(CC3CCN(C)CC3)CC2)C1.
What is the InChIKey of ethane;1-ethyl-3-[[4-[(1-methylpiperidin-4-yl)methyl]piperidin-1-yl]methyl]piperidine?
The InChIKey is DCKAHLPSGNUGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N3.2C2H6/c1-3-22-10-4-5-20(16-22)17-23-13-8-19(9-14-23)15-18-6-11-21(2)12-7-18;2*1-2/h18-20H,3-17H2,1-2H3;2*1-2H3.
What are the key properties of ethane;1-ethyl-3-[[4-[(1-methylpiperidin-4-yl)methyl]piperidin-1-yl]methyl]piperidine?
ethane;1-ethyl-3-[[4-[(1-methylpiperidin-4-yl)methyl]piperidin-1-yl]methyl]piperidine has a molecular weight of 381.69 g/mol, XLogP of 5.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-3-[[4-[(1-methylpiperidin-4-yl)methyl]piperidin-1-yl]methyl]piperidine is sourced from PubChem (CID 171641483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).