1-(cyclopropylmethyl)-2-[(E)-3-thiophen-2-ylprop-2-enyl]piperidine

C16H23NS — CID 19367163

IUPAC1-(cyclopropylmethyl)-2-[(E)-3-thiophen-2-ylprop-2-enyl]piperidine
SMILESC(=C/c1cccs1)\CC1CCCCN1CC1CC1
InChIInChI=1S/C16H23NS/c1-2-11-17(13-14-9-10-14)15(5-1)6-3-7-16-8-4-12-18-16/h3-4,7-8,12,14-15H,1-2,5-6,9-11,13H2/b7-3+
InChIKeyJYCYWJMUNQXXGN-XVNBXDOJSA-N
MW261.43 g/mol
LogP4.42
Rot. Bonds5

About 1-(cyclopropylmethyl)-2-[(E)-3-thiophen-2-ylprop-2-enyl]piperidine

1-(cyclopropylmethyl)-2-[(E)-3-thiophen-2-ylprop-2-enyl]piperidine (PubChem CID 19367163) has the molecular formula C16H23NS and a molecular weight of 261.43 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-2-[(E)-3-thiophen-2-ylprop-2-enyl]piperidine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-2-[(E)-3-thiophen-2-ylprop-2-enyl]piperidine
PubChem CID19367163
Molecular FormulaC16H23NS
Molecular Weight261.43 g/mol
Exact Mass261.16
IUPAC Name1-(cyclopropylmethyl)-2-[(E)-3-thiophen-2-ylprop-2-enyl]piperidine
SMILESC(=C/c1cccs1)\CC1CCCCN1CC1CC1
InChIInChI=1S/C16H23NS/c1-2-11-17(13-14-9-10-14)15(5-1)6-3-7-16-8-4-12-18-16/h3-4,7-8,12,14-15H,1-2,5-6,9-11,13H2/b7-3+
InChIKeyJYCYWJMUNQXXGN-XVNBXDOJSA-N
XLogP4.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-2-[(E)-3-thiophen-2-ylprop-2-enyl]piperidine?
The IUPAC name of 1-(cyclopropylmethyl)-2-[(E)-3-thiophen-2-ylprop-2-enyl]piperidine (CID 19367163) is 1-(cyclopropylmethyl)-2-[(E)-3-thiophen-2-ylprop-2-enyl]piperidine.
What is the SMILES notation for 1-(cyclopropylmethyl)-2-[(E)-3-thiophen-2-ylprop-2-enyl]piperidine?
The canonical SMILES for 1-(cyclopropylmethyl)-2-[(E)-3-thiophen-2-ylprop-2-enyl]piperidine is C(=C/c1cccs1)\CC1CCCCN1CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-2-[(E)-3-thiophen-2-ylprop-2-enyl]piperidine?
The InChIKey is JYCYWJMUNQXXGN-XVNBXDOJSA-N. The full InChI is InChI=1S/C16H23NS/c1-2-11-17(13-14-9-10-14)15(5-1)6-3-7-16-8-4-12-18-16/h3-4,7-8,12,14-15H,1-2,5-6,9-11,13H2/b7-3+.
What are the key properties of 1-(cyclopropylmethyl)-2-[(E)-3-thiophen-2-ylprop-2-enyl]piperidine?
1-(cyclopropylmethyl)-2-[(E)-3-thiophen-2-ylprop-2-enyl]piperidine has a molecular weight of 261.43 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-2-[(E)-3-thiophen-2-ylprop-2-enyl]piperidine is sourced from PubChem (CID 19367163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).