1-tert-butyl-4-(1-piperidin-1-ylethenyl)piperidine

C16H30N2 — CID 129255741

IUPAC1-tert-butyl-4-(1-piperidin-1-ylethenyl)piperidine
SMILESC=C(C1CCN(C(C)(C)C)CC1)N1CCCCC1
InChIInChI=1S/C16H30N2/c1-14(17-10-6-5-7-11-17)15-8-12-18(13-9-15)16(2,3)4/h15H,1,5-13H2,2-4H3
InChIKeyDLPMXJYEYKAEOK-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.50
Rot. Bonds2

About 1-tert-butyl-4-(1-piperidin-1-ylethenyl)piperidine

1-tert-butyl-4-(1-piperidin-1-ylethenyl)piperidine (PubChem CID 129255741) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 1-tert-butyl-4-(1-piperidin-1-ylethenyl)piperidine.

Molecular Properties

Compound Name1-tert-butyl-4-(1-piperidin-1-ylethenyl)piperidine
PubChem CID129255741
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name1-tert-butyl-4-(1-piperidin-1-ylethenyl)piperidine
SMILESC=C(C1CCN(C(C)(C)C)CC1)N1CCCCC1
InChIInChI=1S/C16H30N2/c1-14(17-10-6-5-7-11-17)15-8-12-18(13-9-15)16(2,3)4/h15H,1,5-13H2,2-4H3
InChIKeyDLPMXJYEYKAEOK-UHFFFAOYSA-N
XLogP3.50
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(1-piperidin-1-ylethenyl)piperidine?
The IUPAC name of 1-tert-butyl-4-(1-piperidin-1-ylethenyl)piperidine (CID 129255741) is 1-tert-butyl-4-(1-piperidin-1-ylethenyl)piperidine.
What is the SMILES notation for 1-tert-butyl-4-(1-piperidin-1-ylethenyl)piperidine?
The canonical SMILES for 1-tert-butyl-4-(1-piperidin-1-ylethenyl)piperidine is C=C(C1CCN(C(C)(C)C)CC1)N1CCCCC1.
What is the InChIKey of 1-tert-butyl-4-(1-piperidin-1-ylethenyl)piperidine?
The InChIKey is DLPMXJYEYKAEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-14(17-10-6-5-7-11-17)15-8-12-18(13-9-15)16(2,3)4/h15H,1,5-13H2,2-4H3.
What are the key properties of 1-tert-butyl-4-(1-piperidin-1-ylethenyl)piperidine?
1-tert-butyl-4-(1-piperidin-1-ylethenyl)piperidine has a molecular weight of 250.43 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(1-piperidin-1-ylethenyl)piperidine is sourced from PubChem (CID 129255741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).