ethane;2-[4-(1-ethylpiperidin-4-yl)phenyl]ethanamine;molecular hydrogen

C19H38N2 — CID 155707716

IUPACethane;2-[4-(1-ethylpiperidin-4-yl)phenyl]ethanamine;molecular hydrogen
SMILESCC.CC.CCN1CCC(c2ccc(CCN)cc2)CC1.[H][H]
InChIInChI=1S/C15H24N2.2C2H6.H2/c1-2-17-11-8-15(9-12-17)14-5-3-13(4-6-14)7-10-16;2*1-2;/h3-6,15H,2,7-12,16H2,1H3;2*1-2H3;1H
InChIKeyKMIJPDLKBDMZBT-UHFFFAOYSA-N
MW294.53 g/mol
LogP4.69
Rot. Bonds4

About ethane;2-[4-(1-ethylpiperidin-4-yl)phenyl]ethanamine;molecular hydrogen

ethane;2-[4-(1-ethylpiperidin-4-yl)phenyl]ethanamine;molecular hydrogen (PubChem CID 155707716) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is ethane;2-[4-(1-ethylpiperidin-4-yl)phenyl]ethanamine;molecular hydrogen.

Molecular Properties

Compound Nameethane;2-[4-(1-ethylpiperidin-4-yl)phenyl]ethanamine;molecular hydrogen
PubChem CID155707716
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC Nameethane;2-[4-(1-ethylpiperidin-4-yl)phenyl]ethanamine;molecular hydrogen
SMILESCC.CC.CCN1CCC(c2ccc(CCN)cc2)CC1.[H][H]
InChIInChI=1S/C15H24N2.2C2H6.H2/c1-2-17-11-8-15(9-12-17)14-5-3-13(4-6-14)7-10-16;2*1-2;/h3-6,15H,2,7-12,16H2,1H3;2*1-2H3;1H
InChIKeyKMIJPDLKBDMZBT-UHFFFAOYSA-N
XLogP4.69
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2-[4-(1-ethylpiperidin-4-yl)phenyl]ethanamine;molecular hydrogen?
The IUPAC name of ethane;2-[4-(1-ethylpiperidin-4-yl)phenyl]ethanamine;molecular hydrogen (CID 155707716) is ethane;2-[4-(1-ethylpiperidin-4-yl)phenyl]ethanamine;molecular hydrogen.
What is the SMILES notation for ethane;2-[4-(1-ethylpiperidin-4-yl)phenyl]ethanamine;molecular hydrogen?
The canonical SMILES for ethane;2-[4-(1-ethylpiperidin-4-yl)phenyl]ethanamine;molecular hydrogen is CC.CC.CCN1CCC(c2ccc(CCN)cc2)CC1.[H][H].
What is the InChIKey of ethane;2-[4-(1-ethylpiperidin-4-yl)phenyl]ethanamine;molecular hydrogen?
The InChIKey is KMIJPDLKBDMZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2.2C2H6.H2/c1-2-17-11-8-15(9-12-17)14-5-3-13(4-6-14)7-10-16;2*1-2;/h3-6,15H,2,7-12,16H2,1H3;2*1-2H3;1H.
What are the key properties of ethane;2-[4-(1-ethylpiperidin-4-yl)phenyl]ethanamine;molecular hydrogen?
ethane;2-[4-(1-ethylpiperidin-4-yl)phenyl]ethanamine;molecular hydrogen has a molecular weight of 294.53 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[4-(1-ethylpiperidin-4-yl)phenyl]ethanamine;molecular hydrogen is sourced from PubChem (CID 155707716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).