1,3-dimethyl-N-[(E)-3-phenylprop-2-enyl]piperidin-4-amine

C16H24N2 — CID 115615391

IUPAC1,3-dimethyl-N-[(E)-3-phenylprop-2-enyl]piperidin-4-amine
SMILESCC1CN(C)CCC1NC/C=C/c1ccccc1
InChIInChI=1S/C16H24N2/c1-14-13-18(2)12-10-16(14)17-11-6-9-15-7-4-3-5-8-15/h3-9,14,16-17H,10-13H2,1-2H3/b9-6+
InChIKeyGIHYMSZZWCMZRH-RMKNXTFCSA-N
MW244.38 g/mol
LogP2.63
Rot. Bonds4

About 1,3-dimethyl-N-[(E)-3-phenylprop-2-enyl]piperidin-4-amine

1,3-dimethyl-N-[(E)-3-phenylprop-2-enyl]piperidin-4-amine (PubChem CID 115615391) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1,3-dimethyl-N-[(E)-3-phenylprop-2-enyl]piperidin-4-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-[(E)-3-phenylprop-2-enyl]piperidin-4-amine
PubChem CID115615391
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name1,3-dimethyl-N-[(E)-3-phenylprop-2-enyl]piperidin-4-amine
SMILESCC1CN(C)CCC1NC/C=C/c1ccccc1
InChIInChI=1S/C16H24N2/c1-14-13-18(2)12-10-16(14)17-11-6-9-15-7-4-3-5-8-15/h3-9,14,16-17H,10-13H2,1-2H3/b9-6+
InChIKeyGIHYMSZZWCMZRH-RMKNXTFCSA-N
XLogP2.63
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[(E)-3-phenylprop-2-enyl]piperidin-4-amine?
The IUPAC name of 1,3-dimethyl-N-[(E)-3-phenylprop-2-enyl]piperidin-4-amine (CID 115615391) is 1,3-dimethyl-N-[(E)-3-phenylprop-2-enyl]piperidin-4-amine.
What is the SMILES notation for 1,3-dimethyl-N-[(E)-3-phenylprop-2-enyl]piperidin-4-amine?
The canonical SMILES for 1,3-dimethyl-N-[(E)-3-phenylprop-2-enyl]piperidin-4-amine is CC1CN(C)CCC1NC/C=C/c1ccccc1.
What is the InChIKey of 1,3-dimethyl-N-[(E)-3-phenylprop-2-enyl]piperidin-4-amine?
The InChIKey is GIHYMSZZWCMZRH-RMKNXTFCSA-N. The full InChI is InChI=1S/C16H24N2/c1-14-13-18(2)12-10-16(14)17-11-6-9-15-7-4-3-5-8-15/h3-9,14,16-17H,10-13H2,1-2H3/b9-6+.
What are the key properties of 1,3-dimethyl-N-[(E)-3-phenylprop-2-enyl]piperidin-4-amine?
1,3-dimethyl-N-[(E)-3-phenylprop-2-enyl]piperidin-4-amine has a molecular weight of 244.38 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[(E)-3-phenylprop-2-enyl]piperidin-4-amine is sourced from PubChem (CID 115615391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).