ethane;3-[1-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-yl]prop-1-en-2-amine

C18H37N3 — CID 156719941

IUPACethane;3-[1-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-yl]prop-1-en-2-amine
SMILESC=C(N)CC1CCN(CCN2CCC(C)CC2)CC1.CC
InChIInChI=1S/C16H31N3.C2H6/c1-14-3-7-18(8-4-14)11-12-19-9-5-16(6-10-19)13-15(2)17;1-2/h14,16H,2-13,17H2,1H3;1-2H3
InChIKeyVGMFYNODKQQVDD-UHFFFAOYSA-N
MW295.51 g/mol
LogP3.32
Rot. Bonds5

About ethane;3-[1-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-yl]prop-1-en-2-amine

ethane;3-[1-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-yl]prop-1-en-2-amine (PubChem CID 156719941) has the molecular formula C18H37N3 and a molecular weight of 295.51 g/mol. Its IUPAC name is ethane;3-[1-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-yl]prop-1-en-2-amine.

Molecular Properties

Compound Nameethane;3-[1-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-yl]prop-1-en-2-amine
PubChem CID156719941
Molecular FormulaC18H37N3
Molecular Weight295.51 g/mol
Exact Mass295.30
IUPAC Nameethane;3-[1-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-yl]prop-1-en-2-amine
SMILESC=C(N)CC1CCN(CCN2CCC(C)CC2)CC1.CC
InChIInChI=1S/C16H31N3.C2H6/c1-14-3-7-18(8-4-14)11-12-19-9-5-16(6-10-19)13-15(2)17;1-2/h14,16H,2-13,17H2,1H3;1-2H3
InChIKeyVGMFYNODKQQVDD-UHFFFAOYSA-N
XLogP3.32
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;3-[1-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-yl]prop-1-en-2-amine?
The IUPAC name of ethane;3-[1-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-yl]prop-1-en-2-amine (CID 156719941) is ethane;3-[1-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-yl]prop-1-en-2-amine.
What is the SMILES notation for ethane;3-[1-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-yl]prop-1-en-2-amine?
The canonical SMILES for ethane;3-[1-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-yl]prop-1-en-2-amine is C=C(N)CC1CCN(CCN2CCC(C)CC2)CC1.CC.
What is the InChIKey of ethane;3-[1-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-yl]prop-1-en-2-amine?
The InChIKey is VGMFYNODKQQVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3.C2H6/c1-14-3-7-18(8-4-14)11-12-19-9-5-16(6-10-19)13-15(2)17;1-2/h14,16H,2-13,17H2,1H3;1-2H3.
What are the key properties of ethane;3-[1-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-yl]prop-1-en-2-amine?
ethane;3-[1-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-yl]prop-1-en-2-amine has a molecular weight of 295.51 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[1-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-yl]prop-1-en-2-amine is sourced from PubChem (CID 156719941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).