3-(3-methylpiperidin-1-yl)-1-phenylbut-3-en-2-amine

C16H24N2 — CID 167075215

IUPAC3-(3-methylpiperidin-1-yl)-1-phenylbut-3-en-2-amine
SMILESC=C(C(N)Cc1ccccc1)N1CCCC(C)C1
InChIInChI=1S/C16H24N2/c1-13-7-6-10-18(12-13)14(2)16(17)11-15-8-4-3-5-9-15/h3-5,8-9,13,16H,2,6-7,10-12,17H2,1H3
InChIKeyMTWQRPVNSLRTSI-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.80
Rot. Bonds4

About 3-(3-methylpiperidin-1-yl)-1-phenylbut-3-en-2-amine

3-(3-methylpiperidin-1-yl)-1-phenylbut-3-en-2-amine (PubChem CID 167075215) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 3-(3-methylpiperidin-1-yl)-1-phenylbut-3-en-2-amine.

Molecular Properties

Compound Name3-(3-methylpiperidin-1-yl)-1-phenylbut-3-en-2-amine
PubChem CID167075215
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name3-(3-methylpiperidin-1-yl)-1-phenylbut-3-en-2-amine
SMILESC=C(C(N)Cc1ccccc1)N1CCCC(C)C1
InChIInChI=1S/C16H24N2/c1-13-7-6-10-18(12-13)14(2)16(17)11-15-8-4-3-5-9-15/h3-5,8-9,13,16H,2,6-7,10-12,17H2,1H3
InChIKeyMTWQRPVNSLRTSI-UHFFFAOYSA-N
XLogP2.80
TPSA29.26 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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylpiperidin-1-yl)-1-phenylbut-3-en-2-amine?
The IUPAC name of 3-(3-methylpiperidin-1-yl)-1-phenylbut-3-en-2-amine (CID 167075215) is 3-(3-methylpiperidin-1-yl)-1-phenylbut-3-en-2-amine.
What is the SMILES notation for 3-(3-methylpiperidin-1-yl)-1-phenylbut-3-en-2-amine?
The canonical SMILES for 3-(3-methylpiperidin-1-yl)-1-phenylbut-3-en-2-amine is C=C(C(N)Cc1ccccc1)N1CCCC(C)C1.
What is the InChIKey of 3-(3-methylpiperidin-1-yl)-1-phenylbut-3-en-2-amine?
The InChIKey is MTWQRPVNSLRTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-13-7-6-10-18(12-13)14(2)16(17)11-15-8-4-3-5-9-15/h3-5,8-9,13,16H,2,6-7,10-12,17H2,1H3.
What are the key properties of 3-(3-methylpiperidin-1-yl)-1-phenylbut-3-en-2-amine?
3-(3-methylpiperidin-1-yl)-1-phenylbut-3-en-2-amine has a molecular weight of 244.38 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylpiperidin-1-yl)-1-phenylbut-3-en-2-amine is sourced from PubChem (CID 167075215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).